N-cyclopropyl-6-(1-methylindol-3-yl)pyrimidin-4-amine

C16H16N4 — CID 82486363

IUPACN-cyclopropyl-6-(1-methylindol-3-yl)pyrimidin-4-amine
SMILESCn1cc(-c2cc(NC3CC3)ncn2)c2ccccc21
InChIInChI=1S/C16H16N4/c1-20-9-13(12-4-2-3-5-15(12)20)14-8-16(18-10-17-14)19-11-6-7-11/h2-5,8-11H,6-7H2,1H3,(H,17,18,19)
InChIKeyAORAQKQJMZOBLH-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.21
Rot. Bonds3

About N-cyclopropyl-6-(1-methylindol-3-yl)pyrimidin-4-amine

N-cyclopropyl-6-(1-methylindol-3-yl)pyrimidin-4-amine (PubChem CID 82486363) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-cyclopropyl-6-(1-methylindol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-(1-methylindol-3-yl)pyrimidin-4-amine
PubChem CID82486363
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-cyclopropyl-6-(1-methylindol-3-yl)pyrimidin-4-amine
SMILESCn1cc(-c2cc(NC3CC3)ncn2)c2ccccc21
InChIInChI=1S/C16H16N4/c1-20-9-13(12-4-2-3-5-15(12)20)14-8-16(18-10-17-14)19-11-6-7-11/h2-5,8-11H,6-7H2,1H3,(H,17,18,19)
InChIKeyAORAQKQJMZOBLH-UHFFFAOYSA-N
XLogP3.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(1-methylindol-3-yl)pyrimidin-4-yl]methanamine
CID 116857550
N-cyclopropyl-6-pyrimidin-5-ylpyrimidin-4-amine
CID 141185839
N-[4-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-5-[[6-(1-methylindol-3-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 137421766
N-[4-methoxy-5-[[6-(1-methylindol-3-yl)pyrimidin-4-yl]amino]-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 135369197
N-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 82483168
[2-(1-methylindol-3-yl)-4-pyridinyl]methanamine
CID 115114062
1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole
CID 12006818
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-[[6-(1-methylindol-3-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 176878260
3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole
CID 116896947
5-hydroxy-2-(1-methylindol-3-yl)pyridine-4-carbonitrile
CID 116864596
4-N-[6-(2-ethyl-3-fluorophenyl)pyrimidin-4-yl]cyclohexane-1,4-diamine
CID 123885883
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[6-(1-methylindol-3-yl)pyrimidin-4-yl]amino]-4-propylphenyl]prop-2-enamide
CID 135369120

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(1-methylindol-3-yl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-(1-methylindol-3-yl)pyrimidin-4-amine (CID 82486363) is N-cyclopropyl-6-(1-methylindol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-(1-methylindol-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-(1-methylindol-3-yl)pyrimidin-4-amine is Cn1cc(-c2cc(NC3CC3)ncn2)c2ccccc21.
What is the InChIKey of N-cyclopropyl-6-(1-methylindol-3-yl)pyrimidin-4-amine?
The InChIKey is AORAQKQJMZOBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-20-9-13(12-4-2-3-5-15(12)20)14-8-16(18-10-17-14)19-11-6-7-11/h2-5,8-11H,6-7H2,1H3,(H,17,18,19).
What are the key properties of N-cyclopropyl-6-(1-methylindol-3-yl)pyrimidin-4-amine?
N-cyclopropyl-6-(1-methylindol-3-yl)pyrimidin-4-amine has a molecular weight of 264.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(1-methylindol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 82486363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).