6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine

C14H23ClN4 — CID 79315133

IUPAC6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(C)CC1CCCN1C
InChIInChI=1S/C14H23ClN4/c1-4-6-12-13(15)16-10-17-14(12)19(3)9-11-7-5-8-18(11)2/h10-11H,4-9H2,1-3H3
InChIKeyBVKSHDHGKTYXBW-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.61
Rot. Bonds5

About 6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine

6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine (PubChem CID 79315133) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine
PubChem CID79315133
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(C)CC1CCCN1C
InChIInChI=1S/C14H23ClN4/c1-4-6-12-13(15)16-10-17-14(12)19(3)9-11-7-5-8-18(11)2/h10-11H,4-9H2,1-3H3
InChIKeyBVKSHDHGKTYXBW-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-5-propylpyrimidin-4-amine
CID 63729519
6-N-ethyl-4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80848832
1-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 63730372
6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine
CID 63735945
6-chloro-5-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 63729717
6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 79314849
6-chloro-N-cyclohexyl-N-ethyl-5-propylpyrimidin-4-amine
CID 63736107
6-chloro-N-(cyclopropylmethyl)-N-ethyl-5-propylpyrimidin-4-amine
CID 63956110
1-[(2S)-2-[[(6-chloro-5-ethylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]-4-methyl-2-(2-methylpropyl)pentan-1-one
CID 166318919
6-chloro-N-methyl-5-propyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 55230830
6-chloro-N-(1-cyclopropylethyl)-N-methyl-5-propylpyrimidin-4-amine
CID 55230256
4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80991832

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine (CID 79315133) is 6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1N(C)CC1CCCN1C.
What is the InChIKey of 6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine?
The InChIKey is BVKSHDHGKTYXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-4-6-12-13(15)16-10-17-14(12)19(3)9-11-7-5-8-18(11)2/h10-11H,4-9H2,1-3H3.
What are the key properties of 6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine?
6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine has a molecular weight of 282.82 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 79315133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).