N',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine

C14H23N5 — CID 62406558

IUPACN',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine
SMILESCc1cc2ncc(CNCCCCN(C)C)cn2n1
InChIInChI=1S/C14H23N5/c1-12-8-14-16-10-13(11-19(14)17-12)9-15-6-4-5-7-18(2)3/h8,10-11,15H,4-7,9H2,1-3H3
InChIKeyVXTYEZORGPIVGR-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.47
Rot. Bonds7

About N',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine

N',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine (PubChem CID 62406558) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine
PubChem CID62406558
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine
SMILESCc1cc2ncc(CNCCCCN(C)C)cn2n1
InChIInChI=1S/C14H23N5/c1-12-8-14-16-10-13(11-19(14)17-12)9-15-6-4-5-7-18(2)3/h8,10-11,15H,4-7,9H2,1-3H3
InChIKeyVXTYEZORGPIVGR-UHFFFAOYSA-N
XLogP1.47
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine?
The IUPAC name of N',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine (CID 62406558) is N',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine is Cc1cc2ncc(CNCCCCN(C)C)cn2n1.
What is the InChIKey of N',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine?
The InChIKey is VXTYEZORGPIVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-12-8-14-16-10-13(11-19(14)17-12)9-15-6-4-5-7-18(2)3/h8,10-11,15H,4-7,9H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine?
N',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine is sourced from PubChem (CID 62406558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).