N-butan-2-yl-N-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-amine

C13H23N5 — CID 71186595

IUPACN-butan-2-yl-N-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-amine
SMILESCCC(C)N(C)c1cc(N2CC(NC)C2)ncn1
InChIInChI=1S/C13H23N5/c1-5-10(2)17(4)12-6-13(16-9-15-12)18-7-11(8-18)14-3/h6,9-11,14H,5,7-8H2,1-4H3
InChIKeyKVHMCHNCGGVHQX-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.12
Rot. Bonds5

About N-butan-2-yl-N-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-amine

N-butan-2-yl-N-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-amine (PubChem CID 71186595) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-amine
PubChem CID71186595
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-butan-2-yl-N-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-amine
SMILESCCC(C)N(C)c1cc(N2CC(NC)C2)ncn1
InChIInChI=1S/C13H23N5/c1-5-10(2)17(4)12-6-13(16-9-15-12)18-7-11(8-18)14-3/h6,9-11,14H,5,7-8H2,1-4H3
InChIKeyKVHMCHNCGGVHQX-UHFFFAOYSA-N
XLogP1.12
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Adriforant
CID 24745335
6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 753256
N4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129179
4-N-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 16202258
(R)-N4-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 24745337
n4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 24797598
(R)-N2-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54581940
(R)-N4-cyclopentyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54587790
4-(Piperazin-1-yl)pyrimidin-2-amine
CID 19969682
N4-(3,3-dimethylbutyl)-6-(3-(methylamino)azetidin-1-yl)pyrimidine-2,4-diamine
CID 24745506
4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129180
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 44126357

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-N-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-amine (CID 71186595) is N-butan-2-yl-N-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-N-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-N-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-amine is CCC(C)N(C)c1cc(N2CC(NC)C2)ncn1.
What is the InChIKey of N-butan-2-yl-N-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-amine?
The InChIKey is KVHMCHNCGGVHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-5-10(2)17(4)12-6-13(16-9-15-12)18-7-11(8-18)14-3/h6,9-11,14H,5,7-8H2,1-4H3.
What are the key properties of N-butan-2-yl-N-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-amine?
N-butan-2-yl-N-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 71186595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).