N-methyl-6-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine

C18H25N7 — CID 118740393

IUPACN-methyl-6-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
SMILESCNc1cncc(C2CCCN2Cc2ccnc(N3CCCC3)n2)n1
InChIInChI=1S/C18H25N7/c1-19-17-12-20-11-15(23-17)16-5-4-10-25(16)13-14-6-7-21-18(22-14)24-8-2-3-9-24/h6-7,11-12,16H,2-5,8-10,13H2,1H3,(H,19,23)
InChIKeyUDEOYIJKCRSUCT-UHFFFAOYSA-N
MW339.45 g/mol
LogP2.25
Rot. Bonds5

About N-methyl-6-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine

N-methyl-6-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine (PubChem CID 118740393) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is N-methyl-6-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
PubChem CID118740393
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC NameN-methyl-6-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
SMILESCNc1cncc(C2CCCN2Cc2ccnc(N3CCCC3)n2)n1
InChIInChI=1S/C18H25N7/c1-19-17-12-20-11-15(23-17)16-5-4-10-25(16)13-14-6-7-21-18(22-14)24-8-2-3-9-24/h6-7,11-12,16H,2-5,8-10,13H2,1H3,(H,19,23)
InChIKeyUDEOYIJKCRSUCT-UHFFFAOYSA-N
XLogP2.25
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 137632745
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-ethyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 137642595
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-methyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 137649371
4-Tert-butyl-6-piperazin-1-yl-2-pyrrol-1-ylpyrimidine
CID 44568855
6-[4-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)piperidin-1-yl]-N-isopropylpyrimidin-4-amine
CID 46995038
6-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine
CID 46998993
2-methyl-N-(1-methyl-2-pyrazin-2-ylethyl)-5-propylpyrimidin-4-amine
CID 50951797
N~4~,N~4~,5-trimethyl-N~2~-(1-methyl-2-pyrazin-2-ylethyl)pyrimidine-2,4-diamine
CID 50951856
6-methyl-N-(1-methyl-2-pyrazin-2-ylethyl)-2-propylpyrimidin-4-amine
CID 50965065
4,6-dimethyl-N-(1-methyl-2-pyrazin-2-ylethyl)pyrimidin-2-amine
CID 50967182
N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 53565265
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56704039

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine?
The IUPAC name of N-methyl-6-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine (CID 118740393) is N-methyl-6-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-6-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine?
The canonical SMILES for N-methyl-6-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine is CNc1cncc(C2CCCN2Cc2ccnc(N3CCCC3)n2)n1.
What is the InChIKey of N-methyl-6-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine?
The InChIKey is UDEOYIJKCRSUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-19-17-12-20-11-15(23-17)16-5-4-10-25(16)13-14-6-7-21-18(22-14)24-8-2-3-9-24/h6-7,11-12,16H,2-5,8-10,13H2,1H3,(H,19,23).
What are the key properties of N-methyl-6-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine?
N-methyl-6-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine has a molecular weight of 339.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine is sourced from PubChem (CID 118740393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).