4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine

C19H30N6 — CID 144865603

IUPAC4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N(C)C)ncn1.CC(C)c1cc(N2CCC2)ncn1
InChIInChI=1S/C10H15N3.C9H15N3/c1-8(2)9-6-10(12-7-11-9)13-4-3-5-13;1-7(2)8-5-9(12(3)4)11-6-10-8/h6-8H,3-5H2,1-2H3;5-7H,1-4H3
InChIKeyPSGATDIDNNZKTA-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.48
Rot. Bonds4

About 4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine

4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 144865603) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID144865603
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC Name4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N(C)C)ncn1.CC(C)c1cc(N2CCC2)ncn1
InChIInChI=1S/C10H15N3.C9H15N3/c1-8(2)9-6-10(12-7-11-9)13-4-3-5-13;1-7(2)8-5-9(12(3)4)11-6-10-8/h6-8H,3-5H2,1-2H3;5-7H,1-4H3
InChIKeyPSGATDIDNNZKTA-UHFFFAOYSA-N
XLogP3.48
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chloroethyl)-4-(6-propan-2-ylpyrimidin-4-yl)-1,4-diazepane
CID 55184602
6-(3-aminopiperidin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 53185813
4-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 72871048
6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 155975901
1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 86818325
2-methyl-7-(6-propan-2-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 72930014
N,N-dimethyl-6-[4-(4-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 171323717
7-(6-propan-2-ylpyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131025765
3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 103725176
3-(6-piperidin-1-ylpyrimidin-4-yl)butane-1-thiol
CID 123203256
1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 110100201
6-[4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 136568889

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine (CID 144865603) is 4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(N(C)C)ncn1.CC(C)c1cc(N2CCC2)ncn1.
What is the InChIKey of 4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is PSGATDIDNNZKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.C9H15N3/c1-8(2)9-6-10(12-7-11-9)13-4-3-5-13;1-7(2)8-5-9(12(3)4)11-6-10-8/h6-8H,3-5H2,1-2H3;5-7H,1-4H3.
What are the key properties of 4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine?
4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 342.49 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 144865603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).