N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propan-2-yloxypyrimidin-2-amine

C15H23N5O — CID 114537660

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(C)n(CCCNc2nccc(OC(C)C)n2)n1
InChIInChI=1S/C15H23N5O/c1-11(2)21-14-6-8-17-15(18-14)16-7-5-9-20-13(4)10-12(3)19-20/h6,8,10-11H,5,7,9H2,1-4H3,(H,16,17,18)
InChIKeyKNYQSHFHJTXGCJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.58
Rot. Bonds7

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propan-2-yloxypyrimidin-2-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 114537660) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propan-2-yloxypyrimidin-2-amine
PubChem CID114537660
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(C)n(CCCNc2nccc(OC(C)C)n2)n1
InChIInChI=1S/C15H23N5O/c1-11(2)21-14-6-8-17-15(18-14)16-7-5-9-20-13(4)10-12(3)19-20/h6,8,10-11H,5,7,9H2,1-4H3,(H,16,17,18)
InChIKeyKNYQSHFHJTXGCJ-UHFFFAOYSA-N
XLogP2.58
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propan-2-yloxypyrimidin-2-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

N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636998
2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 114151108
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
CID 114008164
N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323665
2-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 86816276
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
N-(2-piperidin-1-ylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637281
4-propan-2-yloxy-N-(2-prop-2-ynylsulfanylethyl)pyrimidin-2-amine
CID 114187948
6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid
CID 112635945
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637612
N-(2-morpholin-4-ylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636541

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propan-2-yloxypyrimidin-2-amine (CID 114537660) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propan-2-yloxypyrimidin-2-amine is Cc1cc(C)n(CCCNc2nccc(OC(C)C)n2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is KNYQSHFHJTXGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11(2)21-14-6-8-17-15(18-14)16-7-5-9-20-13(4)10-12(3)19-20/h6,8,10-11H,5,7,9H2,1-4H3,(H,16,17,18).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propan-2-yloxypyrimidin-2-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 114537660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).