N'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine

C16H25N5 — CID 63379377

IUPACN'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine
SMILESCc1cc2ncc(CNCCN(C)C3CCCC3)cn2n1
InChIInChI=1S/C16H25N5/c1-13-9-16-18-11-14(12-21(16)19-13)10-17-7-8-20(2)15-5-3-4-6-15/h9,11-12,15,17H,3-8,10H2,1-2H3
InChIKeyKXSKVHJMEGKXJR-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.00
Rot. Bonds6

About N'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine

N'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine (PubChem CID 63379377) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine
PubChem CID63379377
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine
SMILESCc1cc2ncc(CNCCN(C)C3CCCC3)cn2n1
InChIInChI=1S/C16H25N5/c1-13-9-16-18-11-14(12-21(16)19-13)10-17-7-8-20(2)15-5-3-4-6-15/h9,11-12,15,17H,3-8,10H2,1-2H3
InChIKeyKXSKVHJMEGKXJR-UHFFFAOYSA-N
XLogP2.00
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine
CID 62406558
N,N-dimethyl-1-[[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]methyl]cyclobutan-1-amine
CID 105414494
N,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 55219703
2-(3-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 62403888
2-(cyclohexen-1-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 62404588
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639318
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-phenylsulfanylethanamine
CID 62404236
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 78926107
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine
CID 103757618
N'-cyclopropyl-N'-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62977755
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine
CID 62405842
1-(dimethylamino)-2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propan-2-ol
CID 103839026

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine (CID 63379377) is N'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine is Cc1cc2ncc(CNCCN(C)C3CCCC3)cn2n1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine?
The InChIKey is KXSKVHJMEGKXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-13-9-16-18-11-14(12-21(16)19-13)10-17-7-8-20(2)15-5-3-4-6-15/h9,11-12,15,17H,3-8,10H2,1-2H3.
What are the key properties of N'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine?
N'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine has a molecular weight of 287.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 63379377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).