4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine

C17H19N5 — CID 112854725

IUPAC4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESc1ccc2c(CCNc3cc(NC4CC4)ncn3)c[nH]c2c1
InChIInChI=1S/C17H19N5/c1-2-4-15-14(3-1)12(10-19-15)7-8-18-16-9-17(21-11-20-16)22-13-5-6-13/h1-4,9-11,13,19H,5-8H2,(H2,18,20,21,22)
InChIKeyDAICFYSCSUEMFD-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.19
Rot. Bonds6

About 4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 112854725) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID112854725
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESc1ccc2c(CCNc3cc(NC4CC4)ncn3)c[nH]c2c1
InChIInChI=1S/C17H19N5/c1-2-4-15-14(3-1)12(10-19-15)7-8-18-16-9-17(21-11-20-16)22-13-5-6-13/h1-4,9-11,13,19H,5-8H2,(H2,18,20,21,22)
InChIKeyDAICFYSCSUEMFD-UHFFFAOYSA-N
XLogP3.19
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine
CID 112862363
N-cyclohexyl-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342013
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859722
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858907
4-N-[(2-chlorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859869
N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
CID 82453535
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859174
4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862383
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861587
4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858233
4-N-benzyl-6-N-[2-(1H-indol-3-yl)ethyl]-4-N-methylpyrimidine-4,6-diamine
CID 112859437

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine (CID 112854725) is 4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine is c1ccc2c(CCNc3cc(NC4CC4)ncn3)c[nH]c2c1.
What is the InChIKey of 4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is DAICFYSCSUEMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-2-4-15-14(3-1)12(10-19-15)7-8-18-16-9-17(21-11-20-16)22-13-5-6-13/h1-4,9-11,13,19H,5-8H2,(H2,18,20,21,22).
What are the key properties of 4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 293.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112854725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).