4-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-diamine

C11H21N5 — CID 154337652

IUPAC4-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-diamine
SMILESCN1CCC(CC2(N)C=CNC(N)=N2)CC1
InChIInChI=1S/C11H21N5/c1-16-6-2-9(3-7-16)8-11(13)4-5-14-10(12)15-11/h4-5,9H,2-3,6-8,13H2,1H3,(H3,12,14,15)
InChIKeyZIJKNWPHFXAHRW-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.20
Rot. Bonds2

About 4-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-diamine

4-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-diamine (PubChem CID 154337652) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-diamine
PubChem CID154337652
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name4-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-diamine
SMILESCN1CCC(CC2(N)C=CNC(N)=N2)CC1
InChIInChI=1S/C11H21N5/c1-16-6-2-9(3-7-16)8-11(13)4-5-14-10(12)15-11/h4-5,9H,2-3,6-8,13H2,1H3,(H3,12,14,15)
InChIKeyZIJKNWPHFXAHRW-UHFFFAOYSA-N
XLogP-0.20
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-methylpiperidin-4-yl)methyl]cyclopentan-1-amine
CID 115074013
1-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine
CID 115074068
4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 79176691
5-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine
CID 165480206
ethane;(1-methylpiperidin-4-yl)methanamine
CID 91043349
4-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine
CID 82237182
3-(1-methylpiperidin-4-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
CID 118794592
4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline
CID 69019788
5-amino-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyridazin-6-one
CID 117105458
1-methyl-4-[(4-methylphenoxy)methyl]piperidine
CID 123249578
2-[(1-methylpiperidin-4-yl)methoxy]quinazoline
CID 70217208
2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide
CID 55043468

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-diamine (CID 154337652) is 4-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-diamine is CN1CCC(CC2(N)C=CNC(N)=N2)CC1.
What is the InChIKey of 4-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-diamine?
The InChIKey is ZIJKNWPHFXAHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-16-6-2-9(3-7-16)8-11(13)4-5-14-10(12)15-11/h4-5,9H,2-3,6-8,13H2,1H3,(H3,12,14,15).
What are the key properties of 4-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-diamine?
4-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-diamine has a molecular weight of 223.32 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154337652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).