N-methyl-6-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine

C16H23N7 — CID 71933042

IUPACN-methyl-6-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CNCc2cnc(C)cn2)ncn1
InChIInChI=1S/C16H23N7/c1-12-7-20-13(9-19-12)8-18-10-14-4-3-5-23(14)16-6-15(17-2)21-11-22-16/h6-7,9,11,14,18H,3-5,8,10H2,1-2H3,(H,17,21,22)
InChIKeyYNMSPTSJEXHXBX-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.38
Rot. Bonds6

About N-methyl-6-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine

N-methyl-6-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 71933042) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is N-methyl-6-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID71933042
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC NameN-methyl-6-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CNCc2cnc(C)cn2)ncn1
InChIInChI=1S/C16H23N7/c1-12-7-20-13(9-19-12)8-18-10-14-4-3-5-23(14)16-6-15(17-2)21-11-22-16/h6-7,9,11,14,18H,3-5,8,10H2,1-2H3,(H,17,21,22)
InChIKeyYNMSPTSJEXHXBX-UHFFFAOYSA-N
XLogP1.38
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 71933042) is N-methyl-6-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine is CNc1cc(N2CCCC2CNCc2cnc(C)cn2)ncn1.
What is the InChIKey of N-methyl-6-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is YNMSPTSJEXHXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-12-7-20-13(9-19-12)8-18-10-14-4-3-5-23(14)16-6-15(17-2)21-11-22-16/h6-7,9,11,14,18H,3-5,8,10H2,1-2H3,(H,17,21,22).
What are the key properties of N-methyl-6-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
N-methyl-6-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 313.41 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 71933042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).