5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine

C15H18N6 — CID 166321610

IUPAC5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine
SMILESCn1cc(CNCc2cnc(N)nc2N)c2ccccc21
InChIInChI=1S/C15H18N6/c1-21-9-11(12-4-2-3-5-13(12)21)7-18-6-10-8-19-15(17)20-14(10)16/h2-5,8-9,18H,6-7H2,1H3,(H4,16,17,19,20)
InChIKeyPBNCGEIZOJMNPI-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.42
Rot. Bonds4

About 5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine

5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine (PubChem CID 166321610) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine
PubChem CID166321610
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine
SMILESCn1cc(CNCc2cnc(N)nc2N)c2ccccc21
InChIInChI=1S/C15H18N6/c1-21-9-11(12-4-2-3-5-13(12)21)7-18-6-10-8-19-15(17)20-14(10)16/h2-5,8-9,18H,6-7H2,1H3,(H4,16,17,19,20)
InChIKeyPBNCGEIZOJMNPI-UHFFFAOYSA-N
XLogP1.42
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(1-methylindol-3-yl)methylamino]methyl]aniline
CID 115212478
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 107236288
N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252487
1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
CID 107235921
2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236321
1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
CID 115121377
N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 107235485
2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine
CID 115222251
2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236179
3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide
CID 107235566
2-[2-(1-methylindol-3-yl)ethylamino]ethanethiol
CID 115224231

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine (CID 166321610) is 5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine is Cn1cc(CNCc2cnc(N)nc2N)c2ccccc21.
What is the InChIKey of 5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine?
The InChIKey is PBNCGEIZOJMNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-21-9-11(12-4-2-3-5-13(12)21)7-18-6-10-8-19-15(17)20-14(10)16/h2-5,8-9,18H,6-7H2,1H3,(H4,16,17,19,20).
What are the key properties of 5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine?
5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine has a molecular weight of 282.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 166321610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).