N,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide

C13H19N5O — CID 55219703

IUPACN,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
SMILESCc1cc2ncc(CNCCC(=O)N(C)C)cn2n1
InChIInChI=1S/C13H19N5O/c1-10-6-12-15-8-11(9-18(12)16-10)7-14-5-4-13(19)17(2)3/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyQMGHURVPJYVKAX-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.61
Rot. Bonds5

About N,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide

N,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide (PubChem CID 55219703) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
PubChem CID55219703
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
SMILESCc1cc2ncc(CNCCC(=O)N(C)C)cn2n1
InChIInChI=1S/C13H19N5O/c1-10-6-12-15-8-11(9-18(12)16-10)7-14-5-4-13(19)17(2)3/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyQMGHURVPJYVKAX-UHFFFAOYSA-N
XLogP0.61
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.61
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-butan-2-yl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 62405672
N',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine
CID 62406558
2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetamide
CID 62404238
ethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate
CID 55234827
N'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine
CID 63379377
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639318
1-(dimethylamino)-2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propan-2-ol
CID 103839026
N,N-dimethyl-1-[[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]methyl]cyclobutan-1-amine
CID 105414494
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine
CID 103757618
2-(3-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 62403888
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine
CID 62405842
2-(cyclohexen-1-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 62404588

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide (CID 55219703) is N,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide is Cc1cc2ncc(CNCCC(=O)N(C)C)cn2n1.
What is the InChIKey of N,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide?
The InChIKey is QMGHURVPJYVKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10-6-12-15-8-11(9-18(12)16-10)7-14-5-4-13(19)17(2)3/h6,8-9,14H,4-5,7H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide?
N,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide has a molecular weight of 261.33 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide is sourced from PubChem (CID 55219703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).