2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine

C10H15ClN4 — CID 71638561

IUPAC2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCC2CCNC2)nc(Cl)n1
InChIInChI=1S/C10H15ClN4/c1-7-4-9(15-10(11)14-7)13-6-8-2-3-12-5-8/h4,8,12H,2-3,5-6H2,1H3,(H,13,14,15)
InChIKeyKIBBIYPVGRZXTD-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.46
Rot. Bonds3

About 2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine

2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 71638561) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
PubChem CID71638561
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCC2CCNC2)nc(Cl)n1
InChIInChI=1S/C10H15ClN4/c1-7-4-9(15-10(11)14-7)13-6-8-2-3-12-5-8/h4,8,12H,2-3,5-6H2,1H3,(H,13,14,15)
InChIKeyKIBBIYPVGRZXTD-UHFFFAOYSA-N
XLogP1.46
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 71638559
2-chloro-6-methyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
CID 71638564
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71638558
2-chloro-6-methyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71638563
2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563958
2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71638529
2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97162852
2-chloro-6-methyl-N-piperidin-4-ylpyrimidin-4-amine
CID 59210366
6-chloro-2-methylsulfanyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 97164952
2-chloro-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 95928666
6-ethyl-2-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563627
6-chloro-2-methylsulfanyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643194

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine (CID 71638561) is 2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine is Cc1cc(NCC2CCNC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is KIBBIYPVGRZXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-7-4-9(15-10(11)14-7)13-6-8-2-3-12-5-8/h4,8,12H,2-3,5-6H2,1H3,(H,13,14,15).
What are the key properties of 2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine?
2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 226.71 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 71638561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).