N-methyl-5-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]pyrimidin-2-amine

C14H21N7 — CID 56916230

IUPACN-methyl-5-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]pyrimidin-2-amine
SMILESCNc1ncc(CN(C)Cc2cc3n(n2)CCNC3)cn1
InChIInChI=1S/C14H21N7/c1-15-14-17-6-11(7-18-14)9-20(2)10-12-5-13-8-16-3-4-21(13)19-12/h5-7,16H,3-4,8-10H2,1-2H3,(H,15,17,18)
InChIKeyFEMUNUJJMOZBLL-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.45
Rot. Bonds5

About N-methyl-5-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]pyrimidin-2-amine

N-methyl-5-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]pyrimidin-2-amine (PubChem CID 56916230) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is N-methyl-5-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]pyrimidin-2-amine
PubChem CID56916230
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC NameN-methyl-5-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]pyrimidin-2-amine
SMILESCNc1ncc(CN(C)Cc2cc3n(n2)CCNC3)cn1
InChIInChI=1S/C14H21N7/c1-15-14-17-6-11(7-18-14)9-20(2)10-12-5-13-8-16-3-4-21(13)19-12/h5-7,16H,3-4,8-10H2,1-2H3,(H,15,17,18)
InChIKeyFEMUNUJJMOZBLL-UHFFFAOYSA-N
XLogP0.45
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]pyrimidin-2-amine?
The IUPAC name of N-methyl-5-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]pyrimidin-2-amine (CID 56916230) is N-methyl-5-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-5-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-5-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]pyrimidin-2-amine is CNc1ncc(CN(C)Cc2cc3n(n2)CCNC3)cn1.
What is the InChIKey of N-methyl-5-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]pyrimidin-2-amine?
The InChIKey is FEMUNUJJMOZBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-15-14-17-6-11(7-18-14)9-20(2)10-12-5-13-8-16-3-4-21(13)19-12/h5-7,16H,3-4,8-10H2,1-2H3,(H,15,17,18).
What are the key properties of N-methyl-5-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]pyrimidin-2-amine?
N-methyl-5-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]pyrimidin-2-amine has a molecular weight of 287.37 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 56916230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).