4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine

C14H25N5 — CID 80812575

IUPAC4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2CCN(C)CC2)ncn1
InChIInChI=1S/C14H25N5/c1-3-6-15-13-9-14(18-11-17-13)16-10-12-4-7-19(2)8-5-12/h9,11-12H,3-8,10H2,1-2H3,(H2,15,16,17,18)
InChIKeyXFUWZBRZPAURSB-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.05
Rot. Bonds6

About 4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine

4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80812575) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80812575
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2CCN(C)CC2)ncn1
InChIInChI=1S/C14H25N5/c1-3-6-15-13-9-14(18-11-17-13)16-10-12-4-7-19(2)8-5-12/h9,11-12H,3-8,10H2,1-2H3,(H2,15,16,17,18)
InChIKeyXFUWZBRZPAURSB-UHFFFAOYSA-N
XLogP2.05
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80828903
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80825653
2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80791122
4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 114098683
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 114516943
6-N,2-diethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935176
4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80774074
4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014887
4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 79176691
5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 114869240

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine (CID 80812575) is 4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCC2CCN(C)CC2)ncn1.
What is the InChIKey of 4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is XFUWZBRZPAURSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-3-6-15-13-9-14(18-11-17-13)16-10-12-4-7-19(2)8-5-12/h9,11-12H,3-8,10H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 263.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80812575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).