4-chloro-5-methyl-N-[[(2S,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidin-2-amine

C17H27ClN4O2 — CID 124912885

IUPAC4-chloro-5-methyl-N-[[(2S,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidin-2-amine
SMILESCc1cnc(NC[C@@H]2CC[C@]3(COCCN(C(C)C)C3)O2)nc1Cl
InChIInChI=1S/C17H27ClN4O2/c1-12(2)22-6-7-23-11-17(10-22)5-4-14(24-17)9-20-16-19-8-13(3)15(18)21-16/h8,12,14H,4-7,9-11H2,1-3H3,(H,19,20,21)/t14-,17-/m0/s1
InChIKeyMYXZPGBIOIVPHO-YOEHRIQHSA-N
MW354.88 g/mol
LogP2.51
Rot. Bonds4

About 4-chloro-5-methyl-N-[[(2S,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidin-2-amine

4-chloro-5-methyl-N-[[(2S,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidin-2-amine (PubChem CID 124912885) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-chloro-5-methyl-N-[[(2S,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-methyl-N-[[(2S,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidin-2-amine
PubChem CID124912885
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name4-chloro-5-methyl-N-[[(2S,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidin-2-amine
SMILESCc1cnc(NC[C@@H]2CC[C@]3(COCCN(C(C)C)C3)O2)nc1Cl
InChIInChI=1S/C17H27ClN4O2/c1-12(2)22-6-7-23-11-17(10-22)5-4-14(24-17)9-20-16-19-8-13(3)15(18)21-16/h8,12,14H,4-7,9-11H2,1-3H3,(H,19,20,21)/t14-,17-/m0/s1
InChIKeyMYXZPGBIOIVPHO-YOEHRIQHSA-N
XLogP2.51
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-5-methyl-N-[[(2S,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-5-methyl-N-[[(2R,5R)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155827354
4-N,4-N-dimethyl-6-N-[(7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]pyrimidine-4,6-diamine
CID 131638704
4-N,4-N-dimethyl-6-N-[[(2R,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine
CID 97452313
4-N,4-N-dimethyl-6-N-[[(2R,5R)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine
CID 97452315
1-[(2R,5S)-2-[[(2-aminopyrimidin-5-yl)methylamino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]ethanone
CID 124236344
4-chloro-5-methyl-N-[[(2R,5R)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidin-2-amine
CID 124237537
1-[(2S,5R)-2-[[(2-aminopyrimidin-5-yl)methylamino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]ethanone
CID 124800196
4-N,4-N-dimethyl-6-N-[[(2S,5R)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine
CID 124812856
4-N,4-N-dimethyl-6-N-[[(2S,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidine-4,6-diamine
CID 124812857
N-[[(2S,5S)-7-[(2-aminopyrimidin-5-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]acetamide
CID 124895647

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-N-[[(2S,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-5-methyl-N-[[(2S,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidin-2-amine (CID 124912885) is 4-chloro-5-methyl-N-[[(2S,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-methyl-N-[[(2S,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-methyl-N-[[(2S,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidin-2-amine is Cc1cnc(NC[C@@H]2CC[C@]3(COCCN(C(C)C)C3)O2)nc1Cl.
What is the InChIKey of 4-chloro-5-methyl-N-[[(2S,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is MYXZPGBIOIVPHO-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H27ClN4O2/c1-12(2)22-6-7-23-11-17(10-22)5-4-14(24-17)9-20-16-19-8-13(3)15(18)21-16/h8,12,14H,4-7,9-11H2,1-3H3,(H,19,20,21)/t14-,17-/m0/s1.
What are the key properties of 4-chloro-5-methyl-N-[[(2S,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidin-2-amine?
4-chloro-5-methyl-N-[[(2S,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 354.88 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-N-[[(2S,5S)-7-propan-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 124912885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).