4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine

C9H19N5 — CID 142576060

IUPAC4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine
SMILESCCN(C)CCC1(N)C=CNC(N)=N1
InChIInChI=1S/C9H19N5/c1-3-14(2)7-5-9(11)4-6-12-8(10)13-9/h4,6H,3,5,7,11H2,1-2H3,(H3,10,12,13)
InChIKeyJYCNFZFAJZFLHJ-UHFFFAOYSA-N
MW197.29 g/mol
LogP-0.59
Rot. Bonds4

About 4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine

4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine (PubChem CID 142576060) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine
PubChem CID142576060
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine
SMILESCCN(C)CCC1(N)C=CNC(N)=N1
InChIInChI=1S/C9H19N5/c1-3-14(2)7-5-9(11)4-6-12-8(10)13-9/h4,6H,3,5,7,11H2,1-2H3,(H3,10,12,13)
InChIKeyJYCNFZFAJZFLHJ-UHFFFAOYSA-N
XLogP-0.59
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(dimethylamino)ethyl]-5-fluoro-1H-pyrimidine-2,4-diamine
CID 142779639
4-pentyl-1H-pyrimidine-2,4-diamine
CID 66819834
4-ethyl-1H-pyrimidine-2,4-diamine
CID 67413305
4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine
CID 69052138
4-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4,6-triamine
CID 69052223
4-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4,6-triamine
CID 69056175
1,4-dimethyl-N-propylpyrimidin-4-amine
CID 130444818
2-butylimino-N-methyl-N-[3-(methylideneamino)propyl]-3,4-dihydro-1H-pyridin-4-amine
CID 137257058
4-propyl-1H-pyrimidine-2,4-diamine
CID 143394966
4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4,6-triamine
CID 148096369
4-[2-(dimethylamino)ethyl]-6-N-(2,2-dimethylpropyl)-1H-pyrimidine-2,4,6-triamine
CID 152621564
4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
CID 152770704

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine (CID 142576060) is 4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine is CCN(C)CCC1(N)C=CNC(N)=N1.
What is the InChIKey of 4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine?
The InChIKey is JYCNFZFAJZFLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-3-14(2)7-5-9(11)4-6-12-8(10)13-9/h4,6H,3,5,7,11H2,1-2H3,(H3,10,12,13).
What are the key properties of 4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine?
4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine has a molecular weight of 197.29 g/mol, XLogP of -0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 142576060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).