2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide

C16H26N6O3 — CID 131656271

IUPAC2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide
SMILESCN(C)c1cc(NCC2CCC3(COCCN(C(N)=O)C3)O2)ncn1
InChIInChI=1S/C16H26N6O3/c1-21(2)14-7-13(19-11-20-14)18-8-12-3-4-16(25-12)9-22(15(17)23)5-6-24-10-16/h7,11-12H,3-6,8-10H2,1-2H3,(H2,17,23)(H,18,19,20)
InChIKeyIHSOYUCGVKFNMZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.28
Rot. Bonds4

About 2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide

2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide (PubChem CID 131656271) has the molecular formula C16H26N6O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide.

Molecular Properties

Compound Name2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide
PubChem CID131656271
Molecular FormulaC16H26N6O3
Molecular Weight350.42 g/mol
Exact Mass350.21
IUPAC Name2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide
SMILESCN(C)c1cc(NCC2CCC3(COCCN(C(N)=O)C3)O2)ncn1
InChIInChI=1S/C16H26N6O3/c1-21(2)14-7-13(19-11-20-14)18-8-12-3-4-16(25-12)9-22(15(17)23)5-6-24-10-16/h7,11-12H,3-6,8-10H2,1-2H3,(H2,17,23)(H,18,19,20)
InChIKeyIHSOYUCGVKFNMZ-UHFFFAOYSA-N
XLogP0.28
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide with MolForge

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Related Compounds

6-N-(1,10-dioxa-7-azaspiro[4.6]undecan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid
CID 155849503
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;2,2,2-trifluoroacetic acid
CID 155851098
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
6-N-[(7-ethyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 131652715
6-N-(1,10-dioxa-7-azaspiro[4.6]undecan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 131656673
N-[(8-pyrimidin-4-yl-1-oxa-8-azaspiro[4.5]dec-2-yl)methyl]acetamide
CID 72934440
N-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
CID 80850388
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-4-amine
CID 80850546
N-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
CID 80851435
6-N-ethyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine
CID 80854457
6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine
CID 80854528
4-N-[(2-methyloxolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80854889

Frequently Asked Questions

What is the IUPAC name of 2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide?
The IUPAC name of 2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide (CID 131656271) is 2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide.
What is the SMILES notation for 2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide?
The canonical SMILES for 2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide is CN(C)c1cc(NCC2CCC3(COCCN(C(N)=O)C3)O2)ncn1.
What is the InChIKey of 2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide?
The InChIKey is IHSOYUCGVKFNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O3/c1-21(2)14-7-13(19-11-20-14)18-8-12-3-4-16(25-12)9-22(15(17)23)5-6-24-10-16/h7,11-12H,3-6,8-10H2,1-2H3,(H2,17,23)(H,18,19,20).
What are the key properties of 2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide?
2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide is sourced from PubChem (CID 131656271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).