4-[(tert-butylamino)methyl]-2-(3-chloro-2-pyridinyl)-1H-pyrimidin-6-one

C14H17ClN4O — CID 136847819

IUPAC4-[(tert-butylamino)methyl]-2-(3-chloro-2-pyridinyl)-1H-pyrimidin-6-one
SMILESCC(C)(C)NCc1cc(=O)[nH]c(-c2ncccc2Cl)n1
InChIInChI=1S/C14H17ClN4O/c1-14(2,3)17-8-9-7-11(20)19-13(18-9)12-10(15)5-4-6-16-12/h4-7,17H,8H2,1-3H3,(H,18,19,20)
InChIKeyRDSWVASLJJACOL-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.37
Rot. Bonds3

About 4-[(tert-butylamino)methyl]-2-(3-chloro-2-pyridinyl)-1H-pyrimidin-6-one

4-[(tert-butylamino)methyl]-2-(3-chloro-2-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 136847819) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-2-(3-chloro-2-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-2-(3-chloro-2-pyridinyl)-1H-pyrimidin-6-one
PubChem CID136847819
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-[(tert-butylamino)methyl]-2-(3-chloro-2-pyridinyl)-1H-pyrimidin-6-one
SMILESCC(C)(C)NCc1cc(=O)[nH]c(-c2ncccc2Cl)n1
InChIInChI=1S/C14H17ClN4O/c1-14(2,3)17-8-9-7-11(20)19-13(18-9)12-10(15)5-4-6-16-12/h4-7,17H,8H2,1-3H3,(H,18,19,20)
InChIKeyRDSWVASLJJACOL-UHFFFAOYSA-N
XLogP2.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-2-pyridinyl)-4-[(tert-butylamino)methyl]-1H-pyrimidin-6-one
CID 136715517
2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one
CID 136715411
2-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136847785
2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one
CID 136715409
2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one
CID 136847774
4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 135978217
2-(3-chloro-2-pyridinyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476709
[2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 103445203
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 103442627
2-[(2-chlorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
CID 135764107
N-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine
CID 103445283
4-[(2-chloro-3-pyridinyl)methyl]-2-[[2-(dimethylamino)-3-phenylpropyl]amino]-1H-pyrimidin-6-one
CID 137314954

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-2-(3-chloro-2-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-[(tert-butylamino)methyl]-2-(3-chloro-2-pyridinyl)-1H-pyrimidin-6-one (CID 136847819) is 4-[(tert-butylamino)methyl]-2-(3-chloro-2-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-2-(3-chloro-2-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(tert-butylamino)methyl]-2-(3-chloro-2-pyridinyl)-1H-pyrimidin-6-one is CC(C)(C)NCc1cc(=O)[nH]c(-c2ncccc2Cl)n1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-2-(3-chloro-2-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is RDSWVASLJJACOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-14(2,3)17-8-9-7-11(20)19-13(18-9)12-10(15)5-4-6-16-12/h4-7,17H,8H2,1-3H3,(H,18,19,20).
What are the key properties of 4-[(tert-butylamino)methyl]-2-(3-chloro-2-pyridinyl)-1H-pyrimidin-6-one?
4-[(tert-butylamino)methyl]-2-(3-chloro-2-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 292.77 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-2-(3-chloro-2-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136847819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).