N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine

C12H17N5 — CID 113340081

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NCc2cnn(C)c2C)ncn1
InChIInChI=1S/C12H17N5/c1-4-11-5-12(15-8-14-11)13-6-10-7-16-17(3)9(10)2/h5,7-8H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyAKDRXWYCUVVONJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.69
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine (PubChem CID 113340081) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine
PubChem CID113340081
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NCc2cnn(C)c2C)ncn1
InChIInChI=1S/C12H17N5/c1-4-11-5-12(15-8-14-11)13-6-10-7-16-17(3)9(10)2/h5,7-8H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyAKDRXWYCUVVONJ-UHFFFAOYSA-N
XLogP1.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 114139841
2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268792
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline
CID 79579160
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2,5-diamine
CID 106040838
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 114139819
5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
CID 106034629
2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133405511
6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898452
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 106041509
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 106041164
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine
CID 19626352
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinylpyrazin-2-amine
CID 106043318

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine (CID 113340081) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine is CCc1cc(NCc2cnn(C)c2C)ncn1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine?
The InChIKey is AKDRXWYCUVVONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-4-11-5-12(15-8-14-11)13-6-10-7-16-17(3)9(10)2/h5,7-8H,4,6H2,1-3H3,(H,13,14,15).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 113340081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).