4-methyl-1H-pyrimidine-2,4,5-triamine

C5H11N5 — CID 172683359

IUPAC4-methyl-1H-pyrimidine-2,4,5-triamine
SMILESCC1(N)N=C(N)NC=C1N
InChIInChI=1S/C5H11N5/c1-5(8)3(6)2-9-4(7)10-5/h2H,6,8H2,1H3,(H3,7,9,10)
InChIKeyARYALVCPMGUCEQ-UHFFFAOYSA-N
MW141.18 g/mol
LogP-1.62
Rot. Bonds

About 4-methyl-1H-pyrimidine-2,4,5-triamine

4-methyl-1H-pyrimidine-2,4,5-triamine (PubChem CID 172683359) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is 4-methyl-1H-pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name4-methyl-1H-pyrimidine-2,4,5-triamine
PubChem CID172683359
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name4-methyl-1H-pyrimidine-2,4,5-triamine
SMILESCC1(N)N=C(N)NC=C1N
InChIInChI=1S/C5H11N5/c1-5(8)3(6)2-9-4(7)10-5/h2H,6,8H2,1H3,(H3,7,9,10)
InChIKeyARYALVCPMGUCEQ-UHFFFAOYSA-N
XLogP-1.62
TPSA102.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine
CID 171648861
4-ethyl-1H-pyrimidine-2,4-diamine
CID 67413305
4-methyl-1H-pyrimidine-4,5-diamine
CID 67872043
4-methyl-1H-pyrimidine-2,4-diamine
CID 68412964
N,4-dimethyl-1H-pyrimidin-4-amine
CID 123208340
2-butyl-1-[(Z)-2,3-diaminoprop-1-enyl]guanidine
CID 126595746
4-ethyl-1H-pyrimidine-4,5-diamine
CID 141404930
N-(4-amino-3-methyl-4H-pyrimidin-5-yl)-N'-methylmethanimidamide
CID 141790485
4-N,4-dimethyl-1H-pyrimidine-4,6-diamine
CID 142666880
4-propyl-1H-pyrimidine-2,4-diamine
CID 143394966
4-N,4-dimethyl-1H-pyrimidine-2,4,5-triamine
CID 149639803
4-N,4-dimethyl-1H-pyrimidine-4,5,6-triamine
CID 149647618

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-pyrimidine-2,4,5-triamine?
The IUPAC name of 4-methyl-1H-pyrimidine-2,4,5-triamine (CID 172683359) is 4-methyl-1H-pyrimidine-2,4,5-triamine.
What is the SMILES notation for 4-methyl-1H-pyrimidine-2,4,5-triamine?
The canonical SMILES for 4-methyl-1H-pyrimidine-2,4,5-triamine is CC1(N)N=C(N)NC=C1N.
What is the InChIKey of 4-methyl-1H-pyrimidine-2,4,5-triamine?
The InChIKey is ARYALVCPMGUCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-5(8)3(6)2-9-4(7)10-5/h2H,6,8H2,1H3,(H3,7,9,10).
What are the key properties of 4-methyl-1H-pyrimidine-2,4,5-triamine?
4-methyl-1H-pyrimidine-2,4,5-triamine has a molecular weight of 141.18 g/mol, XLogP of -1.62, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-pyrimidine-2,4,5-triamine is sourced from PubChem (CID 172683359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).