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

C15H27N5 — CID 106029063

IUPAC6-N,2-diethyl-5-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(NCC2CCCN2C)c1C
InChIInChI=1S/C15H27N5/c1-5-13-18-14(16-6-2)11(3)15(19-13)17-10-12-8-7-9-20(12)4/h12H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyYSFZHJAJYFRAFA-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.29
Rot. Bonds6

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

6-N,2-diethyl-5-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 106029063) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 6-N,2-diethyl-5-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-5-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID106029063
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name6-N,2-diethyl-5-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(NCC2CCCN2C)c1C
InChIInChI=1S/C15H27N5/c1-5-13-18-14(16-6-2)11(3)15(19-13)17-10-12-8-7-9-20(12)4/h12H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyYSFZHJAJYFRAFA-UHFFFAOYSA-N
XLogP2.29
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 106028323
6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 106026122
4-N-(cyclopropylmethyl)-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80982187
[1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80987896
2-ethyl-6-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 106026109
3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 106028253
6-N,2-diethyl-5-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80992667
6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80848595
6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80987106
2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80983916
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994212

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-5-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-5-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine (CID 106029063) is 6-N,2-diethyl-5-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-5-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-5-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine is CCNc1nc(CC)nc(NCC2CCCN2C)c1C.
What is the InChIKey of 6-N,2-diethyl-5-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is YSFZHJAJYFRAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-5-13-18-14(16-6-2)11(3)15(19-13)17-10-12-8-7-9-20(12)4/h12H,5-10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 6-N,2-diethyl-5-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine?
6-N,2-diethyl-5-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-5-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106029063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).