2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine

C12H21N5 — CID 80790393

IUPAC2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NCC2CCN(C)C2)n1
InChIInChI=1S/C12H21N5/c1-9-6-15-12(13-2)16-11(9)14-7-10-4-5-17(3)8-10/h6,10H,4-5,7-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyAFDJZAAZNVSZLN-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.19
Rot. Bonds4

About 2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine

2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80790393) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80790393
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NCC2CCN(C)C2)n1
InChIInChI=1S/C12H21N5/c1-9-6-15-12(13-2)16-11(9)14-7-10-4-5-17(3)8-10/h6,10H,4-5,7-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyAFDJZAAZNVSZLN-UHFFFAOYSA-N
XLogP1.19
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine (CID 80790393) is 2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine is CNc1ncc(C)c(NCC2CCN(C)C2)n1.
What is the InChIKey of 2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is AFDJZAAZNVSZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-9-6-15-12(13-2)16-11(9)14-7-10-4-5-17(3)8-10/h6,10H,4-5,7-8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine?
2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80790393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).