N-[(4-aminopyrimidin-2-yl)methyl]adamantane-2-carboxamide

C16H22N4O — CID 167953611

IUPACN-[(4-aminopyrimidin-2-yl)methyl]adamantane-2-carboxamide
SMILESNc1ccnc(CNC(=O)C2C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C16H22N4O/c17-13-1-2-18-14(20-13)8-19-16(21)15-11-4-9-3-10(6-11)7-12(15)5-9/h1-2,9-12,15H,3-8H2,(H,19,21)(H2,17,18,20)
InChIKeyPAZBUSBXQQTUQI-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.75
Rot. Bonds3

About N-[(4-aminopyrimidin-2-yl)methyl]adamantane-2-carboxamide

N-[(4-aminopyrimidin-2-yl)methyl]adamantane-2-carboxamide (PubChem CID 167953611) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(4-aminopyrimidin-2-yl)methyl]adamantane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-aminopyrimidin-2-yl)methyl]adamantane-2-carboxamide
PubChem CID167953611
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(4-aminopyrimidin-2-yl)methyl]adamantane-2-carboxamide
SMILESNc1ccnc(CNC(=O)C2C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C16H22N4O/c17-13-1-2-18-14(20-13)8-19-16(21)15-11-4-9-3-10(6-11)7-12(15)5-9/h1-2,9-12,15H,3-8H2,(H,19,21)(H2,17,18,20)
InChIKeyPAZBUSBXQQTUQI-UHFFFAOYSA-N
XLogP1.75
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminopyrimidin-2-yl)methyl]adamantane-2-carboxamide?
The IUPAC name of N-[(4-aminopyrimidin-2-yl)methyl]adamantane-2-carboxamide (CID 167953611) is N-[(4-aminopyrimidin-2-yl)methyl]adamantane-2-carboxamide.
What is the SMILES notation for N-[(4-aminopyrimidin-2-yl)methyl]adamantane-2-carboxamide?
The canonical SMILES for N-[(4-aminopyrimidin-2-yl)methyl]adamantane-2-carboxamide is Nc1ccnc(CNC(=O)C2C3CC4CC(C3)CC2C4)n1.
What is the InChIKey of N-[(4-aminopyrimidin-2-yl)methyl]adamantane-2-carboxamide?
The InChIKey is PAZBUSBXQQTUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-13-1-2-18-14(20-13)8-19-16(21)15-11-4-9-3-10(6-11)7-12(15)5-9/h1-2,9-12,15H,3-8H2,(H,19,21)(H2,17,18,20).
What are the key properties of N-[(4-aminopyrimidin-2-yl)methyl]adamantane-2-carboxamide?
N-[(4-aminopyrimidin-2-yl)methyl]adamantane-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminopyrimidin-2-yl)methyl]adamantane-2-carboxamide is sourced from PubChem (CID 167953611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).