N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

C17H25N5O — CID 72848458

IUPACN-[[4-(dimethylamino)oxan-4-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1cc(C)c2c(NCC3(N(C)C)CCOCC3)ncnc2n1
InChIInChI=1S/C17H25N5O/c1-12-9-13(2)21-16-14(12)15(19-11-20-16)18-10-17(22(3)4)5-7-23-8-6-17/h9,11H,5-8,10H2,1-4H3,(H,18,19,20,21)
InChIKeyPVGWIRZCSJTDMH-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.16
Rot. Bonds4

About N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 72848458) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID72848458
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1cc(C)c2c(NCC3(N(C)C)CCOCC3)ncnc2n1
InChIInChI=1S/C17H25N5O/c1-12-9-13(2)21-16-14(12)15(19-11-20-16)18-10-17(22(3)4)5-7-23-8-6-17/h9,11H,5-8,10H2,1-4H3,(H,18,19,20,21)
InChIKeyPVGWIRZCSJTDMH-UHFFFAOYSA-N
XLogP2.16
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine (CID 72848458) is N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine is Cc1cc(C)c2c(NCC3(N(C)C)CCOCC3)ncnc2n1.
What is the InChIKey of N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is PVGWIRZCSJTDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12-9-13(2)21-16-14(12)15(19-11-20-16)18-10-17(22(3)4)5-7-23-8-6-17/h9,11H,5-8,10H2,1-4H3,(H,18,19,20,21).
What are the key properties of N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine?
N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 315.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)oxan-4-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 72848458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).