6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

C18H31N5 — CID 171998123

IUPAC6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCCN(CC3CCCCC3)C2)ncn1
InChIInChI=1S/C18H31N5/c1-22(2)18-11-17(19-14-20-18)21-16-9-6-10-23(13-16)12-15-7-4-3-5-8-15/h11,14-16H,3-10,12-13H2,1-2H3,(H,19,20,21)
InChIKeyRQVOBODMJGRAPT-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.00
Rot. Bonds5

About 6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 171998123) has the molecular formula C18H31N5 and a molecular weight of 317.48 g/mol. Its IUPAC name is 6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID171998123
Molecular FormulaC18H31N5
Molecular Weight317.48 g/mol
Exact Mass317.26
IUPAC Name6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCCN(CC3CCCCC3)C2)ncn1
InChIInChI=1S/C18H31N5/c1-22(2)18-11-17(19-14-20-18)21-16-9-6-10-23(13-16)12-15-7-4-3-5-8-15/h11,14-16H,3-10,12-13H2,1-2H3,(H,19,20,21)
InChIKeyRQVOBODMJGRAPT-UHFFFAOYSA-N
XLogP3.00
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 171998123) is 6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is CN(C)c1cc(NC2CCCN(CC3CCCCC3)C2)ncn1.
What is the InChIKey of 6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is RQVOBODMJGRAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5/c1-22(2)18-11-17(19-14-20-18)21-16-9-6-10-23(13-16)12-15-7-4-3-5-8-15/h11,14-16H,3-10,12-13H2,1-2H3,(H,19,20,21).
What are the key properties of 6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 317.48 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 171998123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).