4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine

C9H13ClN4 — CID 105466429

IUPAC4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(CN2CCCC2)n1
InChIInChI=1S/C9H13ClN4/c10-8-5-7(12-9(11)13-8)6-14-3-1-2-4-14/h5H,1-4,6H2,(H2,11,12,13)
InChIKeyPIFPKEFMAAKMHM-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.31
Rot. Bonds2

About 4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine

4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine (PubChem CID 105466429) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine
PubChem CID105466429
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(CN2CCCC2)n1
InChIInChI=1S/C9H13ClN4/c10-8-5-7(12-9(11)13-8)6-14-3-1-2-4-14/h5H,1-4,6H2,(H2,11,12,13)
InChIKeyPIFPKEFMAAKMHM-UHFFFAOYSA-N
XLogP1.31
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(morpholin-4-ylmethyl)pyrimidin-2-amine
CID 105486071
4-(2-aminoethyl)-6-chloropyrimidin-2-amine
CID 83851850
6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 78926170
6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 130685335
4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-amine
CID 22398445
2-chloro-6-(piperidin-1-ylmethyl)pyridine
CID 13388686
4-methyl-6-(piperazin-1-ylmethyl)pyrimidin-2-amine
CID 82507434
4-chloro-6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 133272930
4-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-amine
CID 117190893
6-(piperidin-1-ylmethyl)pteridine-2,4-diamine
CID 167878775
8-chloro-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 117256638
2-(azepan-1-ylmethyl)pyridin-4-amine
CID 79244961

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine (CID 105466429) is 4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine is Nc1nc(Cl)cc(CN2CCCC2)n1.
What is the InChIKey of 4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine?
The InChIKey is PIFPKEFMAAKMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4/c10-8-5-7(12-9(11)13-8)6-14-3-1-2-4-14/h5H,1-4,6H2,(H2,11,12,13).
What are the key properties of 4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine?
4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine has a molecular weight of 212.68 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 105466429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).