2-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine

C10H15ClN4 — CID 130598318

IUPAC2-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
SMILESCN1CCC(N(C)c2ccnc(Cl)n2)C1
InChIInChI=1S/C10H15ClN4/c1-14-6-4-8(7-14)15(2)9-3-5-12-10(11)13-9/h3,5,8H,4,6-7H2,1-2H3
InChIKeyGWHDULDAQBGUHS-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.27
Rot. Bonds2

About 2-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine

2-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine (PubChem CID 130598318) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
PubChem CID130598318
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name2-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
SMILESCN1CCC(N(C)c2ccnc(Cl)n2)C1
InChIInChI=1S/C10H15ClN4/c1-14-6-4-8(7-14)15(2)9-3-5-12-10(11)13-9/h3,5,8H,4,6-7H2,1-2H3
InChIKeyGWHDULDAQBGUHS-UHFFFAOYSA-N
XLogP1.27
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-N,N-dimethylpyrimidin-4-amine
CID 95975
8-Aza-5-azoniaspiro(4.5)decane, 8-(2-pyrimidinyl)-, bromide (1:1)
CID 657505
N,N-Dimethylpyrimidin-4-amine
CID 579196
4-(4-Methylpiperazin-1-YL)pyrimidin-2-amine
CID 25128833
6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-4-amine
CID 57403351
N-cyclopentyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227085
N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227127
N-butyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227143
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 58227157
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227255

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine (CID 130598318) is 2-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine is CN1CCC(N(C)c2ccnc(Cl)n2)C1.
What is the InChIKey of 2-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine?
The InChIKey is GWHDULDAQBGUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-14-6-4-8(7-14)15(2)9-3-5-12-10(11)13-9/h3,5,8H,4,6-7H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine?
2-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine has a molecular weight of 226.71 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 130598318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).