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

C21H20FN5 — CID 112859722

IUPAC4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESFc1ccc(CNc2cc(NCCc3c[nH]c4ccccc34)ncn2)cc1
InChIInChI=1S/C21H20FN5/c22-17-7-5-15(6-8-17)12-25-21-11-20(26-14-27-21)23-10-9-16-13-24-19-4-2-1-3-18(16)19/h1-8,11,13-14,24H,9-10,12H2,(H2,23,25,26,27)
InChIKeyBHQXWHGHYOKXOZ-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.36
Rot. Bonds7

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

4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 112859722) has the molecular formula C21H20FN5 and a molecular weight of 361.42 g/mol. Its IUPAC name is 4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID112859722
Molecular FormulaC21H20FN5
Molecular Weight361.42 g/mol
Exact Mass361.17
IUPAC Name4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESFc1ccc(CNc2cc(NCCc3c[nH]c4ccccc34)ncn2)cc1
InChIInChI=1S/C21H20FN5/c22-17-7-5-15(6-8-17)12-25-21-11-20(26-14-27-21)23-10-9-16-13-24-19-4-2-1-3-18(16)19/h1-8,11,13-14,24H,9-10,12H2,(H2,23,25,26,27)
InChIKeyBHQXWHGHYOKXOZ-UHFFFAOYSA-N
XLogP4.36
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859174
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
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
4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112854725
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine
CID 112862363
N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109352217
2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109170646
N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
CID 82453535
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
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350146

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine (CID 112859722) is 4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine is Fc1ccc(CNc2cc(NCCc3c[nH]c4ccccc34)ncn2)cc1.
What is the InChIKey of 4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is BHQXWHGHYOKXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5/c22-17-7-5-15(6-8-17)12-25-21-11-20(26-14-27-21)23-10-9-16-13-24-19-4-2-1-3-18(16)19/h1-8,11,13-14,24H,9-10,12H2,(H2,23,25,26,27).
What are the key properties of 4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine?
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 361.42 g/mol, XLogP of 4.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112859722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).