1-[4-(1H-indol-3-yl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine

C16H16N4 — CID 116896681

IUPAC1-[4-(1H-indol-3-yl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine
SMILESCc1cc(-c2c[nH]c3ccccc23)nc(C2(N)CC2)n1
InChIInChI=1S/C16H16N4/c1-10-8-14(20-15(19-10)16(17)6-7-16)12-9-18-13-5-3-2-4-11(12)13/h2-5,8-9,18H,6-7,17H2,1H3
InChIKeyNINLBRFJRWBJQT-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.88
Rot. Bonds2

About 1-[4-(1H-indol-3-yl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine

1-[4-(1H-indol-3-yl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine (PubChem CID 116896681) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[4-(1H-indol-3-yl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(1H-indol-3-yl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine
PubChem CID116896681
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name1-[4-(1H-indol-3-yl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine
SMILESCc1cc(-c2c[nH]c3ccccc23)nc(C2(N)CC2)n1
InChIInChI=1S/C16H16N4/c1-10-8-14(20-15(19-10)16(17)6-7-16)12-9-18-13-5-3-2-4-11(12)13/h2-5,8-9,18H,6-7,17H2,1H3
InChIKeyNINLBRFJRWBJQT-UHFFFAOYSA-N
XLogP2.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(chloromethyl)-6-methylpyrimidin-4-yl]-1H-indole
CID 116893698
[6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine
CID 116857643
[1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol
CID 116902491
2-(1H-indol-3-yl)-7,8-dihydro-6H-quinolin-5-one
CID 13088239
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956
7-(1H-indol-3-yl)-6-methylquinazoline-2,4-diamine
CID 67607527
3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole
CID 137097331
4-(1H-indol-3-yl)imidazole-1,2-diamine
CID 82284365
1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine
CID 116897574
3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole
CID 11747751
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165
8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid
CID 18729725

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-3-yl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(1H-indol-3-yl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine (CID 116896681) is 1-[4-(1H-indol-3-yl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(1H-indol-3-yl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(1H-indol-3-yl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine is Cc1cc(-c2c[nH]c3ccccc23)nc(C2(N)CC2)n1.
What is the InChIKey of 1-[4-(1H-indol-3-yl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine?
The InChIKey is NINLBRFJRWBJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-10-8-14(20-15(19-10)16(17)6-7-16)12-9-18-13-5-3-2-4-11(12)13/h2-5,8-9,18H,6-7,17H2,1H3.
What are the key properties of 1-[4-(1H-indol-3-yl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine?
1-[4-(1H-indol-3-yl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine has a molecular weight of 264.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indol-3-yl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 116896681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).