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

C19H25N5 — CID 112862363

IUPAC4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine
SMILESCCCCCNc1cc(NCCc2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C19H25N5/c1-2-3-6-10-20-18-12-19(24-14-23-18)21-11-9-15-13-22-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,22H,2-3,6,9-11H2,1H3,(H2,20,21,23,24)
InChIKeyHAYNYBRTMJNOHC-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.21
Rot. Bonds9

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

4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine (PubChem CID 112862363) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine
PubChem CID112862363
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine
SMILESCCCCCNc1cc(NCCc2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C19H25N5/c1-2-3-6-10-20-18-12-19(24-14-23-18)21-11-9-15-13-22-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,22H,2-3,6,9-11H2,1H3,(H2,20,21,23,24)
InChIKeyHAYNYBRTMJNOHC-UHFFFAOYSA-N
XLogP4.21
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112854725
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-[2-(1H-indol-3-yl)ethyl]-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861587
4-N-[(2-chlorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859869
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859722
2-N-butyl-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112883035
4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862383
4-N,6-N-dihexylpyrimidine-4,6-diamine
CID 2747970
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-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine (CID 112862363) is 4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine is CCCCCNc1cc(NCCc2c[nH]c3ccccc23)ncn1.
What is the InChIKey of 4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine?
The InChIKey is HAYNYBRTMJNOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-2-3-6-10-20-18-12-19(24-14-23-18)21-11-9-15-13-22-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,22H,2-3,6,9-11H2,1H3,(H2,20,21,23,24).
What are the key properties of 4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine?
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine has a molecular weight of 323.44 g/mol, XLogP of 4.21, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine is sourced from PubChem (CID 112862363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).