N-(3-chloro-1-methylpyrazol-4-yl)-4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine

C15H19ClFN5O — CID 175805376

IUPACN-(3-chloro-1-methylpyrazol-4-yl)-4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine
SMILESCn1cc(Nc2ncc(F)c(OCC3CCCCC3)n2)c(Cl)n1
InChIInChI=1S/C15H19ClFN5O/c1-22-8-12(13(16)21-22)19-15-18-7-11(17)14(20-15)23-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,18,19,20)
InChIKeyVAUNZIZASZATOR-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.71
Rot. Bonds5

About N-(3-chloro-1-methylpyrazol-4-yl)-4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine

N-(3-chloro-1-methylpyrazol-4-yl)-4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine (PubChem CID 175805376) has the molecular formula C15H19ClFN5O and a molecular weight of 339.80 g/mol. Its IUPAC name is N-(3-chloro-1-methylpyrazol-4-yl)-4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-1-methylpyrazol-4-yl)-4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine
PubChem CID175805376
Molecular FormulaC15H19ClFN5O
Molecular Weight339.80 g/mol
Exact Mass339.13
IUPAC NameN-(3-chloro-1-methylpyrazol-4-yl)-4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine
SMILESCn1cc(Nc2ncc(F)c(OCC3CCCCC3)n2)c(Cl)n1
InChIInChI=1S/C15H19ClFN5O/c1-22-8-12(13(16)21-22)19-15-18-7-11(17)14(20-15)23-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,18,19,20)
InChIKeyVAUNZIZASZATOR-UHFFFAOYSA-N
XLogP3.71
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclohexylmethoxy)-5-fluoro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 175805419
4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80879473
4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 175805479
4-(cyclopentylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80877804
4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 175805342
4-[(4-ethoxycyclohexyl)methoxy]-5-fluoro-N-[1-(2-isocyanopropan-2-yl)-3-methylpyrazol-4-yl]pyrimidin-2-amine
CID 165385610
4-[[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
CID 165385742
4-[[5-fluoro-2-[[1-(2-isocyanopropan-2-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
CID 165385519
3-[[5-fluoro-2-[[1-(2-isocyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclopentan-1-ol
CID 165385960
5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine
CID 80877801
4-(cyclohexylmethoxy)-N,5-dimethylpyrimidin-2-amine
CID 80880904
5-bromo-N-(3-chloro-1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 126505088

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-methylpyrazol-4-yl)-4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine?
The IUPAC name of N-(3-chloro-1-methylpyrazol-4-yl)-4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine (CID 175805376) is N-(3-chloro-1-methylpyrazol-4-yl)-4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-(3-chloro-1-methylpyrazol-4-yl)-4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-(3-chloro-1-methylpyrazol-4-yl)-4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine is Cn1cc(Nc2ncc(F)c(OCC3CCCCC3)n2)c(Cl)n1.
What is the InChIKey of N-(3-chloro-1-methylpyrazol-4-yl)-4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine?
The InChIKey is VAUNZIZASZATOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN5O/c1-22-8-12(13(16)21-22)19-15-18-7-11(17)14(20-15)23-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,18,19,20).
What are the key properties of N-(3-chloro-1-methylpyrazol-4-yl)-4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine?
N-(3-chloro-1-methylpyrazol-4-yl)-4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine has a molecular weight of 339.80 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-methylpyrazol-4-yl)-4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 175805376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).