5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]pyrimidine-2,4-diamine

C18H31FN6 — CID 135119590

IUPAC5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]pyrimidine-2,4-diamine
SMILESCN1CCN(C2(CNc3ncc(F)c(N(C)C)n3)CCCCC2)CC1
InChIInChI=1S/C18H31FN6/c1-23(2)16-15(19)13-20-17(22-16)21-14-18(7-5-4-6-8-18)25-11-9-24(3)10-12-25/h13H,4-12,14H2,1-3H3,(H,20,21,22)
InChIKeyGVOMKPIDRYCNDJ-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.04
Rot. Bonds5

About 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]pyrimidine-2,4-diamine

5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]pyrimidine-2,4-diamine (PubChem CID 135119590) has the molecular formula C18H31FN6 and a molecular weight of 350.49 g/mol. Its IUPAC name is 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]pyrimidine-2,4-diamine
PubChem CID135119590
Molecular FormulaC18H31FN6
Molecular Weight350.49 g/mol
Exact Mass350.26
IUPAC Name5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]pyrimidine-2,4-diamine
SMILESCN1CCN(C2(CNc3ncc(F)c(N(C)C)n3)CCCCC2)CC1
InChIInChI=1S/C18H31FN6/c1-23(2)16-15(19)13-20-17(22-16)21-14-18(7-5-4-6-8-18)25-11-9-24(3)10-12-25/h13H,4-12,14H2,1-3H3,(H,20,21,22)
InChIKeyGVOMKPIDRYCNDJ-UHFFFAOYSA-N
XLogP2.04
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]pyrimidine-2,4-diamine (CID 135119590) is 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]pyrimidine-2,4-diamine is CN1CCN(C2(CNc3ncc(F)c(N(C)C)n3)CCCCC2)CC1.
What is the InChIKey of 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is GVOMKPIDRYCNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN6/c1-23(2)16-15(19)13-20-17(22-16)21-14-18(7-5-4-6-8-18)25-11-9-24(3)10-12-25/h13H,4-12,14H2,1-3H3,(H,20,21,22).
What are the key properties of 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]pyrimidine-2,4-diamine?
5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 350.49 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 135119590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).