1-(2-chloro-6-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine

C12H19ClN4 — CID 81474528

IUPAC1-(2-chloro-6-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine
SMILESCc1cc(N2CC(C)C(N(C)C)C2)nc(Cl)n1
InChIInChI=1S/C12H19ClN4/c1-8-6-17(7-10(8)16(3)4)11-5-9(2)14-12(13)15-11/h5,8,10H,6-7H2,1-4H3
InChIKeyVLSZNXOBURISSG-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.82
Rot. Bonds2

About 1-(2-chloro-6-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine

1-(2-chloro-6-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81474528) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(2-chloro-6-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-chloro-6-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81474528
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name1-(2-chloro-6-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine
SMILESCc1cc(N2CC(C)C(N(C)C)C2)nc(Cl)n1
InChIInChI=1S/C12H19ClN4/c1-8-6-17(7-10(8)16(3)4)11-5-9(2)14-12(13)15-11/h5,8,10H,6-7H2,1-4H3
InChIKeyVLSZNXOBURISSG-UHFFFAOYSA-N
XLogP1.82
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Crimidine
CID 10813
Jnj-39758979
CID 24994634
4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 3228743
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 24994635
4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994945
4-(chloromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 118720434
4-(fluoromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 118720435
4-(3-Aminoazetidin-1-yl)-6-methylpyrimidin-2-amine
CID 155533291
4-Methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine;dihydrochloride
CID 155533425
4-[3-(Ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine
CID 155533940
4-[3-(Dimethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine
CID 155565634
6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine
CID 46225978

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-chloro-6-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine (CID 81474528) is 1-(2-chloro-6-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-chloro-6-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-chloro-6-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine is Cc1cc(N2CC(C)C(N(C)C)C2)nc(Cl)n1.
What is the InChIKey of 1-(2-chloro-6-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is VLSZNXOBURISSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-8-6-17(7-10(8)16(3)4)11-5-9(2)14-12(13)15-11/h5,8,10H,6-7H2,1-4H3.
What are the key properties of 1-(2-chloro-6-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine?
1-(2-chloro-6-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 254.76 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81474528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).