5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine

C18H25N5O — CID 72858601

IUPAC5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1cc(C)c2c(N[C@H]3COC[C@@H]3N3CCCCC3)ncnc2n1
InChIInChI=1S/C18H25N5O/c1-12-8-13(2)21-17-16(12)18(20-11-19-17)22-14-9-24-10-15(14)23-6-4-3-5-7-23/h8,11,14-15H,3-7,9-10H2,1-2H3,(H,19,20,21,22)/t14-,15-/m0/s1
InChIKeyXUFSSSIPJYTDNK-GJZGRUSLSA-N
MW327.43 g/mol
LogP2.31
Rot. Bonds3

About 5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine

5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 72858601) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID72858601
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1cc(C)c2c(N[C@H]3COC[C@@H]3N3CCCCC3)ncnc2n1
InChIInChI=1S/C18H25N5O/c1-12-8-13(2)21-17-16(12)18(20-11-19-17)22-14-9-24-10-15(14)23-6-4-3-5-7-23/h8,11,14-15H,3-7,9-10H2,1-2H3,(H,19,20,21,22)/t14-,15-/m0/s1
InChIKeyXUFSSSIPJYTDNK-GJZGRUSLSA-N
XLogP2.31
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine (CID 72858601) is 5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine is Cc1cc(C)c2c(N[C@H]3COC[C@@H]3N3CCCCC3)ncnc2n1.
What is the InChIKey of 5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is XUFSSSIPJYTDNK-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12-8-13(2)21-17-16(12)18(20-11-19-17)22-14-9-24-10-15(14)23-6-4-3-5-7-23/h8,11,14-15H,3-7,9-10H2,1-2H3,(H,19,20,21,22)/t14-,15-/m0/s1.
What are the key properties of 5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine?
5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 327.43 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 72858601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).