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

C15H27N5 — CID 80935176

IUPAC6-N,2-diethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2CCN(C)CC2)nc(CC)n1
InChIInChI=1S/C15H27N5/c1-4-13-18-14(16-5-2)10-15(19-13)17-11-12-6-8-20(3)9-7-12/h10,12H,4-9,11H2,1-3H3,(H2,16,17,18,19)
InChIKeyZMUUTNWODAGTQC-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.22
Rot. Bonds6

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

6-N,2-diethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80935176) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 6-N,2-diethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80935176
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name6-N,2-diethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2CCN(C)CC2)nc(CC)n1
InChIInChI=1S/C15H27N5/c1-4-13-18-14(16-5-2)10-15(19-13)17-11-12-6-8-20(3)9-7-12/h10,12H,4-9,11H2,1-3H3,(H2,16,17,18,19)
InChIKeyZMUUTNWODAGTQC-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,2-diethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80933549
2-ethyl-6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80933633
6-chloro-2-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 80935978
6-N,2-diethyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine
CID 107298863
6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80955001
2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80934958
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
2-N-ethyl-6-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717660
2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80940788
4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80812495
4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80812575
6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 80940140

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine (CID 80935176) is 6-N,2-diethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine is CCNc1cc(NCC2CCN(C)CC2)nc(CC)n1.
What is the InChIKey of 6-N,2-diethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is ZMUUTNWODAGTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-4-13-18-14(16-5-2)10-15(19-13)17-11-12-6-8-20(3)9-7-12/h10,12H,4-9,11H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-N,2-diethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine?
6-N,2-diethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.22, 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-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80935176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).