N-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine

C14H14N4 — CID 146147973

IUPACN-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCc2cccc3[nH]ccc23)n1
InChIInChI=1S/C14H14N4/c1-10-5-7-16-14(18-10)17-9-11-3-2-4-13-12(11)6-8-15-13/h2-8,15H,9H2,1H3,(H,16,17,18)
InChIKeyBDUNKVOAUJPHBC-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.88
Rot. Bonds3

About N-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine

N-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine (PubChem CID 146147973) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine
PubChem CID146147973
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCc2cccc3[nH]ccc23)n1
InChIInChI=1S/C14H14N4/c1-10-5-7-16-14(18-10)17-9-11-3-2-4-13-12(11)6-8-15-13/h2-8,15H,9H2,1H3,(H,16,17,18)
InChIKeyBDUNKVOAUJPHBC-UHFFFAOYSA-N
XLogP2.88
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol
CID 82681088
4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-N-(1H-indol-4-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 159916560
N-(1H-indol-4-ylmethyl)-1-pyridin-4-ylmethanamine
CID 17221052
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 119125336
2-(1H-indol-4-ylmethylamino)-7-methyl-1H-purin-6-one
CID 167966256
5-N-(1H-indol-4-ylmethyl)-2-N-[(5-methylfuran-2-yl)methyl]quinoline-2,5-diamine
CID 24988966
N-(1H-indol-4-ylmethyl)-1-propan-2-ylpyrazol-4-amine
CID 62999793
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline
CID 102847657
4-amino-2-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol
CID 62960195
3-(1H-indol-4-ylmethylamino)butan-1-ol
CID 78997696

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine?
The IUPAC name of N-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine (CID 146147973) is N-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine is Cc1ccnc(NCc2cccc3[nH]ccc23)n1.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine?
The InChIKey is BDUNKVOAUJPHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-5-7-16-14(18-10)17-9-11-3-2-4-13-12(11)6-8-15-13/h2-8,15H,9H2,1H3,(H,16,17,18).
What are the key properties of N-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine?
N-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine has a molecular weight of 238.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 146147973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).