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

C14H25N5 — CID 84595614

IUPAC4-N,4-N-dimethyl-2-N-[(1-propylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCCCN1CCC(CNc2nccc(N(C)C)n2)C1
InChIInChI=1S/C14H25N5/c1-4-8-19-9-6-12(11-19)10-16-14-15-7-5-13(17-14)18(2)3/h5,7,12H,4,6,8-11H2,1-3H3,(H,15,16,17)
InChIKeyNRFJTLYVDDRDAA-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.69
Rot. Bonds6

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

4-N,4-N-dimethyl-2-N-[(1-propylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 84595614) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-[(1-propylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-[(1-propylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID84595614
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-N,4-N-dimethyl-2-N-[(1-propylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCCCN1CCC(CNc2nccc(N(C)C)n2)C1
InChIInChI=1S/C14H25N5/c1-4-8-19-9-6-12(11-19)10-16-14-15-7-5-13(17-14)18(2)3/h5,7,12H,4,6,8-11H2,1-3H3,(H,15,16,17)
InChIKeyNRFJTLYVDDRDAA-UHFFFAOYSA-N
XLogP1.69
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-[(1-propylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-[(1-propylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine (CID 84595614) is 4-N,4-N-dimethyl-2-N-[(1-propylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-[(1-propylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-[(1-propylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine is CCCN1CCC(CNc2nccc(N(C)C)n2)C1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-[(1-propylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is NRFJTLYVDDRDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-4-8-19-9-6-12(11-19)10-16-14-15-7-5-13(17-14)18(2)3/h5,7,12H,4,6,8-11H2,1-3H3,(H,15,16,17).
What are the key properties of 4-N,4-N-dimethyl-2-N-[(1-propylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-2-N-[(1-propylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-[(1-propylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 84595614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).