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

C18H25N7 — CID 166225722

IUPACN-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCc1cc(CNc2nccc(N3CCCC3)n2)nc(N2CCCC2)n1
InChIInChI=1S/C18H25N7/c1-14-12-15(22-18(21-14)25-10-4-5-11-25)13-20-17-19-7-6-16(23-17)24-8-2-3-9-24/h6-7,12H,2-5,8-11,13H2,1H3,(H,19,20,23)
InChIKeyPOEZHRIEVMWXLF-UHFFFAOYSA-N
MW339.45 g/mol
LogP2.39
Rot. Bonds5

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

N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 166225722) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID166225722
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC NameN-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCc1cc(CNc2nccc(N3CCCC3)n2)nc(N2CCCC2)n1
InChIInChI=1S/C18H25N7/c1-14-12-15(22-18(21-14)25-10-4-5-11-25)13-20-17-19-7-6-16(23-17)24-8-2-3-9-24/h6-7,12H,2-5,8-11,13H2,1H3,(H,19,20,23)
InChIKeyPOEZHRIEVMWXLF-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine (CID 166225722) is N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine is Cc1cc(CNc2nccc(N3CCCC3)n2)nc(N2CCCC2)n1.
What is the InChIKey of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is POEZHRIEVMWXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-14-12-15(22-18(21-14)25-10-4-5-11-25)13-20-17-19-7-6-16(23-17)24-8-2-3-9-24/h6-7,12H,2-5,8-11,13H2,1H3,(H,19,20,23).
What are the key properties of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 339.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 166225722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).