2-chloro-N-(2,2-dimethylpropyl)-N-methylpyrimidin-4-amine

C10H16ClN3 — CID 62342868

IUPAC2-chloro-N-(2,2-dimethylpropyl)-N-methylpyrimidin-4-amine
SMILESCN(CC(C)(C)C)c1ccnc(Cl)n1
InChIInChI=1S/C10H16ClN3/c1-10(2,3)7-14(4)8-5-6-12-9(11)13-8/h5-6H,7H2,1-4H3
InChIKeyWNIUKNMOTQTQFR-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.61
Rot. Bonds2

About 2-chloro-N-(2,2-dimethylpropyl)-N-methylpyrimidin-4-amine

2-chloro-N-(2,2-dimethylpropyl)-N-methylpyrimidin-4-amine (PubChem CID 62342868) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethylpropyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethylpropyl)-N-methylpyrimidin-4-amine
PubChem CID62342868
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name2-chloro-N-(2,2-dimethylpropyl)-N-methylpyrimidin-4-amine
SMILESCN(CC(C)(C)C)c1ccnc(Cl)n1
InChIInChI=1S/C10H16ClN3/c1-10(2,3)7-14(4)8-5-6-12-9(11)13-8/h5-6H,7H2,1-4H3
InChIKeyWNIUKNMOTQTQFR-UHFFFAOYSA-N
XLogP2.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2,2-dimethylpropyl)-N,6-dimethylpyrimidin-4-amine
CID 62482205
2-chloro-N-(2,2-dimethoxyethyl)-N-methylpyrimidin-4-amine
CID 121204746
1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 79385487
2-[(2-chloropyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 62342254
2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
CID 62341687
1-(2-chloropyrimidin-4-yl)-1,2-dimethylhydrazine
CID 134397137
N-(2,2-dimethylpropyl)-N-methylpyrazin-2-amine
CID 127002402
2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine
CID 103756761
2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
CID 97164149
2-chloro-N-(2,2-dimethylpropyl)-N,5-dimethylpyrimidin-4-amine
CID 79073368
1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80848859
2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine
CID 62343656

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethylpropyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,2-dimethylpropyl)-N-methylpyrimidin-4-amine (CID 62342868) is 2-chloro-N-(2,2-dimethylpropyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,2-dimethylpropyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,2-dimethylpropyl)-N-methylpyrimidin-4-amine is CN(CC(C)(C)C)c1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2,2-dimethylpropyl)-N-methylpyrimidin-4-amine?
The InChIKey is WNIUKNMOTQTQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-10(2,3)7-14(4)8-5-6-12-9(11)13-8/h5-6H,7H2,1-4H3.
What are the key properties of 2-chloro-N-(2,2-dimethylpropyl)-N-methylpyrimidin-4-amine?
2-chloro-N-(2,2-dimethylpropyl)-N-methylpyrimidin-4-amine has a molecular weight of 213.71 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethylpropyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 62342868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).