4-(1-adamantylamino)-5-amino-1H-pyrimidin-6-one

C14H20N4O — CID 135568306

IUPAC4-(1-adamantylamino)-5-amino-1H-pyrimidin-6-one
SMILESNc1c(NC23CC4CC(CC(C4)C2)C3)nc[nH]c1=O
InChIInChI=1S/C14H20N4O/c15-11-12(16-7-17-13(11)19)18-14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6,15H2,(H2,16,17,18,19)
InChIKeyKUDDQSQCAFXLAE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.73
Rot. Bonds2

About 4-(1-adamantylamino)-5-amino-1H-pyrimidin-6-one

4-(1-adamantylamino)-5-amino-1H-pyrimidin-6-one (PubChem CID 135568306) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(1-adamantylamino)-5-amino-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-adamantylamino)-5-amino-1H-pyrimidin-6-one
PubChem CID135568306
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-(1-adamantylamino)-5-amino-1H-pyrimidin-6-one
SMILESNc1c(NC23CC4CC(CC(C4)C2)C3)nc[nH]c1=O
InChIInChI=1S/C14H20N4O/c15-11-12(16-7-17-13(11)19)18-14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6,15H2,(H2,16,17,18,19)
InChIKeyKUDDQSQCAFXLAE-UHFFFAOYSA-N
XLogP1.73
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantylamino)-5-amino-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-adamantylamino)-5-amino-1H-pyrimidin-6-one (CID 135568306) is 4-(1-adamantylamino)-5-amino-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-adamantylamino)-5-amino-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-adamantylamino)-5-amino-1H-pyrimidin-6-one is Nc1c(NC23CC4CC(CC(C4)C2)C3)nc[nH]c1=O.
What is the InChIKey of 4-(1-adamantylamino)-5-amino-1H-pyrimidin-6-one?
The InChIKey is KUDDQSQCAFXLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-11-12(16-7-17-13(11)19)18-14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6,15H2,(H2,16,17,18,19).
What are the key properties of 4-(1-adamantylamino)-5-amino-1H-pyrimidin-6-one?
4-(1-adamantylamino)-5-amino-1H-pyrimidin-6-one has a molecular weight of 260.34 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylamino)-5-amino-1H-pyrimidin-6-one is sourced from PubChem (CID 135568306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).