N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine

C17H20N8 — CID 133301785

IUPACN-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine
SMILESCNc1cc(N2CCCC2CNc2ccc3nccnc3n2)ncn1
InChIInChI=1S/C17H20N8/c1-18-15-9-16(23-11-22-15)25-8-2-3-12(25)10-21-14-5-4-13-17(24-14)20-7-6-19-13/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,18,22,23)(H,20,21,24)
InChIKeyJOGXRPJPEPFTFG-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.94
Rot. Bonds5

About N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine

N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine (PubChem CID 133301785) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine
PubChem CID133301785
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC NameN-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine
SMILESCNc1cc(N2CCCC2CNc2ccc3nccnc3n2)ncn1
InChIInChI=1S/C17H20N8/c1-18-15-9-16(23-11-22-15)25-8-2-3-12(25)10-21-14-5-4-13-17(24-14)20-7-6-19-13/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,18,22,23)(H,20,21,24)
InChIKeyJOGXRPJPEPFTFG-UHFFFAOYSA-N
XLogP1.94
TPSA91.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine (CID 133301785) is N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine is CNc1cc(N2CCCC2CNc2ccc3nccnc3n2)ncn1.
What is the InChIKey of N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is JOGXRPJPEPFTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1-18-15-9-16(23-11-22-15)25-8-2-3-12(25)10-21-14-5-4-13-17(24-14)20-7-6-19-13/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,18,22,23)(H,20,21,24).
What are the key properties of N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine?
N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 336.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 133301785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).