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

C20H27N5 — CID 112922446

IUPAC2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCC(C)C)nc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H27N5/c1-14(2)8-10-21-19-12-15(3)24-20(25-19)22-11-9-16-13-23-18-7-5-4-6-17(16)18/h4-7,12-14,23H,8-11H2,1-3H3,(H2,21,22,24,25)
InChIKeyQBMPVZDJVFSJGM-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.38
Rot. Bonds8

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

2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 112922446) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID112922446
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Name2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCC(C)C)nc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H27N5/c1-14(2)8-10-21-19-12-15(3)24-20(25-19)22-11-9-16-13-23-18-7-5-4-6-17(16)18/h4-7,12-14,23H,8-11H2,1-3H3,(H2,21,22,24,25)
InChIKeyQBMPVZDJVFSJGM-UHFFFAOYSA-N
XLogP4.38
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 73254465
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112896684
2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109331592
2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919733
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918561
4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112922394
2-N-[(2R)-5-(diethylamino)pentan-2-yl]-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 99644863
2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321035
2-[[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112922493
4-N-(2,4-difluorophenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922491
2-N-(1,3-benzodioxol-5-yl)-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922428
4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932553

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine (CID 112922446) is 2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine is Cc1cc(NCCC(C)C)nc(NCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is QBMPVZDJVFSJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-14(2)8-10-21-19-12-15(3)24-20(25-19)22-11-9-16-13-23-18-7-5-4-6-17(16)18/h4-7,12-14,23H,8-11H2,1-3H3,(H2,21,22,24,25).
What are the key properties of 2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 337.47 g/mol, XLogP of 4.38, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112922446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).