2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine

C12H19ClN4 — CID 114043901

IUPAC2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine
SMILESCCC1(CC)CCN(c2nc(Cl)ncc2N)C1
InChIInChI=1S/C12H19ClN4/c1-3-12(4-2)5-6-17(8-12)10-9(14)7-15-11(13)16-10/h7H,3-6,8,14H2,1-2H3
InChIKeyWPTUZNLAQHKQOT-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.73
Rot. Bonds3

About 2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine

2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine (PubChem CID 114043901) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine
PubChem CID114043901
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine
SMILESCCC1(CC)CCN(c2nc(Cl)ncc2N)C1
InChIInChI=1S/C12H19ClN4/c1-3-12(4-2)5-6-17(8-12)10-9(14)7-15-11(13)16-10/h7H,3-6,8,14H2,1-2H3
InChIKeyWPTUZNLAQHKQOT-UHFFFAOYSA-N
XLogP2.73
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol
CID 114044014
2-chloro-4-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-amine
CID 114043660
[3-chloro-2-(3,3-diethylpyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 107055676
2-(4,4-diethylpiperidin-1-yl)pyrimidin-5-amine
CID 63160997
2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine
CID 63161724
2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine
CID 79632418
2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidine
CID 131075383
6-(3,3-diethylpyrrolidin-1-yl)-5-nitropyridin-2-amine
CID 80855316
6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80992705
1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 18801422
1-[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
CID 80634619
5-bromo-2-chloro-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidine
CID 79073012

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine?
The IUPAC name of 2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine (CID 114043901) is 2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine is CCC1(CC)CCN(c2nc(Cl)ncc2N)C1.
What is the InChIKey of 2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine?
The InChIKey is WPTUZNLAQHKQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-3-12(4-2)5-6-17(8-12)10-9(14)7-15-11(13)16-10/h7H,3-6,8,14H2,1-2H3.
What are the key properties of 2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine?
2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine has a molecular weight of 254.76 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 114043901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).