N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine

C13H12N4 — CID 62758577

IUPACN-(pyrimidin-5-ylmethyl)-1H-indol-5-amine
SMILESc1ncc(CNc2ccc3[nH]ccc3c2)cn1
InChIInChI=1S/C13H12N4/c1-2-13-11(3-4-16-13)5-12(1)17-8-10-6-14-9-15-7-10/h1-7,9,16-17H,8H2
InChIKeyNLFNZEISVBTKAT-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.57
Rot. Bonds3

About N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine

N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine (PubChem CID 62758577) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine.

Molecular Properties

Compound NameN-(pyrimidin-5-ylmethyl)-1H-indol-5-amine
PubChem CID62758577
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC NameN-(pyrimidin-5-ylmethyl)-1H-indol-5-amine
SMILESc1ncc(CNc2ccc3[nH]ccc3c2)cn1
InChIInChI=1S/C13H12N4/c1-2-13-11(3-4-16-13)5-12(1)17-8-10-6-14-9-15-7-10/h1-7,9,16-17H,8H2
InChIKeyNLFNZEISVBTKAT-UHFFFAOYSA-N
XLogP2.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
N-[(4-ethylphenyl)methyl]-1H-indol-5-amine
CID 28546654
2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol
CID 79886052
N-(1H-indol-5-ylmethyl)quinoxalin-6-amine
CID 102910076
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine
CID 82538568
N-(1,3-thiazol-2-ylmethyl)-1H-indol-5-amine
CID 63655581
N-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 102909567
4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide
CID 60985220
2-chloro-4-(1H-indol-5-ylmethylamino)phenol
CID 107678050
4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
CID 102910801
4-bromo-3-chloro-N-(1H-indol-5-ylmethyl)aniline
CID 107619194
N-(2-methylpropyl)-1H-indol-5-amine
CID 43204243

Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine?
The IUPAC name of N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine (CID 62758577) is N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine.
What is the SMILES notation for N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine?
The canonical SMILES for N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine is c1ncc(CNc2ccc3[nH]ccc3c2)cn1.
What is the InChIKey of N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine?
The InChIKey is NLFNZEISVBTKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-2-13-11(3-4-16-13)5-12(1)17-8-10-6-14-9-15-7-10/h1-7,9,16-17H,8H2.
What are the key properties of N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine?
N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine has a molecular weight of 224.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine is sourced from PubChem (CID 62758577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).