2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine

C9H14ClN3 — CID 62338504

IUPAC2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine
SMILESCC(C)C(C)Nc1ccnc(Cl)n1
InChIInChI=1S/C9H14ClN3/c1-6(2)7(3)12-8-4-5-11-9(10)13-8/h4-7H,1-3H3,(H,11,12,13)
InChIKeyDRKKVXZMKIAMFG-UHFFFAOYSA-N
MW199.69 g/mol
LogP2.59
Rot. Bonds3

About 2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine

2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine (PubChem CID 62338504) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is 2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine
PubChem CID62338504
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC Name2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine
SMILESCC(C)C(C)Nc1ccnc(Cl)n1
InChIInChI=1S/C9H14ClN3/c1-6(2)7(3)12-8-4-5-11-9(10)13-8/h4-7H,1-3H3,(H,11,12,13)
InChIKeyDRKKVXZMKIAMFG-UHFFFAOYSA-N
XLogP2.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2R)-3-methylbutan-2-yl]pyrimidin-4-amine
CID 94405665
(3S)-3-N-(2-chloropyrimidin-4-yl)-4-methylpentane-2,3-diamine
CID 130469662
2-[(2-chloropyrimidin-4-yl)amino]propanamide
CID 62343252
methyl (2S)-2-[(2-chloropyrimidin-4-yl)amino]-3-methylbutanoate
CID 129367589
N-[1-(4-bromophenyl)ethyl]-2-chloropyrimidin-4-amine
CID 62342465
2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726838
2-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrimidin-4-amine
CID 130987200
2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine
CID 89400370
2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 60727037
(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
CID 94405682
2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine
CID 62342085
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine
CID 62342660

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine (CID 62338504) is 2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine is CC(C)C(C)Nc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine?
The InChIKey is DRKKVXZMKIAMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-6(2)7(3)12-8-4-5-11-9(10)13-8/h4-7H,1-3H3,(H,11,12,13).
What are the key properties of 2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine?
2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine has a molecular weight of 199.69 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 62338504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).