4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine

C15H27N5 — CID 80991832

IUPAC4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(N(C)CC2CCCN2C)n1
InChIInChI=1S/C15H27N5/c1-5-7-13-17-14(16)11(2)15(18-13)20(4)10-12-8-6-9-19(12)3/h12H,5-10H2,1-4H3,(H2,16,17,18)
InChIKeyUZZLUBIYMQDYJN-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.85
Rot. Bonds5

About 4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine

4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine (PubChem CID 80991832) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
PubChem CID80991832
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(N(C)CC2CCCN2C)n1
InChIInChI=1S/C15H27N5/c1-5-7-13-17-14(16)11(2)15(18-13)20(4)10-12-8-6-9-19(12)3/h12H,5-10H2,1-4H3,(H2,16,17,18)
InChIKeyUZZLUBIYMQDYJN-UHFFFAOYSA-N
XLogP1.85
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80848595
6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 79314849
2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80835728
4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80986185
6-N-ethyl-4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80848832
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 80983230
6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 79315133
5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848913
4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848121
4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carbothioamide
CID 79314276
4-N-benzyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80977163
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 80509123

Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine (CID 80991832) is 4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(N(C)CC2CCCN2C)n1.
What is the InChIKey of 4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The InChIKey is UZZLUBIYMQDYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-5-7-13-17-14(16)11(2)15(18-13)20(4)10-12-8-6-9-19(12)3/h12H,5-10H2,1-4H3,(H2,16,17,18).
What are the key properties of 4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine?
4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine has a molecular weight of 277.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80991832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).