5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one

C13H17N5O2 — CID 136974722

IUPAC5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
SMILESCC(C)Oc1ncccc1CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C13H17N5O2/c1-8(2)20-13-9(4-3-5-15-13)6-16-11-10(14)12(19)18-7-17-11/h3-5,7-8H,6,14H2,1-2H3,(H2,16,17,18,19)
InChIKeyYVQRWTJGLQXNAH-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.15
Rot. Bonds5

About 5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136974722) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136974722
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
SMILESCC(C)Oc1ncccc1CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C13H17N5O2/c1-8(2)20-13-9(4-3-5-15-13)6-16-11-10(14)12(19)18-7-17-11/h3-5,7-8H,6,14H2,1-2H3,(H2,16,17,18,19)
InChIKeyYVQRWTJGLQXNAH-UHFFFAOYSA-N
XLogP1.15
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137016144
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 62142011
4-chloro-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine
CID 115468707
4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine
CID 61373121
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 63208632
5-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 105369277
5-iodo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 66342116
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289
5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 135575672
5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 135568300

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one (CID 136974722) is 5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one is CC(C)Oc1ncccc1CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is YVQRWTJGLQXNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8(2)20-13-9(4-3-5-15-13)6-16-11-10(14)12(19)18-7-17-11/h3-5,7-8H,6,14H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 275.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).