N-[[(3S,5S)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyrimidin-2-amine

C13H20N4O2 — CID 97399672

IUPACN-[[(3S,5S)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyrimidin-2-amine
SMILESc1cnc(NC[C@H]2CO[C@]3(CNCCOC3)C2)nc1
InChIInChI=1S/C13H20N4O2/c1-2-15-12(16-3-1)17-7-11-6-13(19-8-11)9-14-4-5-18-10-13/h1-3,11,14H,4-10H2,(H,15,16,17)/t11-,13-/m0/s1
InChIKeyVTVNUXWALIEMIR-AAEUAGOBSA-N
MW264.33 g/mol
LogP0.28
Rot. Bonds3

About N-[[(3S,5S)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyrimidin-2-amine

N-[[(3S,5S)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyrimidin-2-amine (PubChem CID 97399672) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[[(3S,5S)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(3S,5S)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyrimidin-2-amine
PubChem CID97399672
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[[(3S,5S)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyrimidin-2-amine
SMILESc1cnc(NC[C@H]2CO[C@]3(CNCCOC3)C2)nc1
InChIInChI=1S/C13H20N4O2/c1-2-15-12(16-3-1)17-7-11-6-13(19-8-11)9-14-4-5-18-10-13/h1-3,11,14H,4-10H2,(H,15,16,17)/t11-,13-/m0/s1
InChIKeyVTVNUXWALIEMIR-AAEUAGOBSA-N
XLogP0.28
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(3S,5S)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

8-Pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118740969
N-[[(3S,5S)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]-5-fluoropyrimidin-2-amine
CID 97503244
N-[[(3R,5S)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]-5-fluoropyrimidin-2-amine
CID 97503245
N-[[(3S,5R)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]-5-fluoropyrimidin-2-amine
CID 97503246
N-[[(3R,5R)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]-5-fluoropyrimidin-2-amine
CID 97503247
N-(1,7-Dioxa-10-Azaspiro[4.6]Undecan-3-Ylmethyl)-5-Fluoropyrimidin-2-Amine
CID 131638130
N,N-dimethyl-1-(7-pyrimidin-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl)methanamine;2,2,2-trifluoroacetic acid
CID 155848845
2-[3-[(Pyrimidin-2-ylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]ethanol;2,2,2-trifluoroacetic acid
CID 155853301
N-(1,10-dioxa-7-azaspiro[4.6]undecan-3-ylmethyl)-5-fluoropyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 155855228
N-(1,10-dioxa-7-azaspiro[4.6]undecan-3-ylmethyl)pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155861097
N-(1,10-dioxa-7-azaspiro[4.6]undecan-3-ylmethyl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 171673233
2-[3-[(Pyrimidin-2-ylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]ethanol;bis(2,2,2-trifluoroacetic acid)
CID 171688680

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,5S)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[(3S,5S)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyrimidin-2-amine (CID 97399672) is N-[[(3S,5S)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[(3S,5S)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[(3S,5S)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyrimidin-2-amine is c1cnc(NC[C@H]2CO[C@]3(CNCCOC3)C2)nc1.
What is the InChIKey of N-[[(3S,5S)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyrimidin-2-amine?
The InChIKey is VTVNUXWALIEMIR-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-15-12(16-3-1)17-7-11-6-13(19-8-11)9-14-4-5-18-10-13/h1-3,11,14H,4-10H2,(H,15,16,17)/t11-,13-/m0/s1.
What are the key properties of N-[[(3S,5S)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyrimidin-2-amine?
N-[[(3S,5S)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyrimidin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,5S)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 97399672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).