4-(1-methylpyrazol-4-yl)-N-(oxan-2-ylmethyl)pyrimidin-2-amine

C14H19N5O — CID 45232180

IUPAC4-(1-methylpyrazol-4-yl)-N-(oxan-2-ylmethyl)pyrimidin-2-amine
SMILESCn1cc(-c2ccnc(NCC3CCCCO3)n2)cn1
InChIInChI=1S/C14H19N5O/c1-19-10-11(8-17-19)13-5-6-15-14(18-13)16-9-12-4-2-3-7-20-12/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,15,16,18)
InChIKeyODZFXEDEBDTNNX-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.86
Rot. Bonds4

About 4-(1-methylpyrazol-4-yl)-N-(oxan-2-ylmethyl)pyrimidin-2-amine

4-(1-methylpyrazol-4-yl)-N-(oxan-2-ylmethyl)pyrimidin-2-amine (PubChem CID 45232180) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-N-(oxan-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-N-(oxan-2-ylmethyl)pyrimidin-2-amine
PubChem CID45232180
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-(1-methylpyrazol-4-yl)-N-(oxan-2-ylmethyl)pyrimidin-2-amine
SMILESCn1cc(-c2ccnc(NCC3CCCCO3)n2)cn1
InChIInChI=1S/C14H19N5O/c1-19-10-11(8-17-19)13-5-6-15-14(18-13)16-9-12-4-2-3-7-20-12/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,15,16,18)
InChIKeyODZFXEDEBDTNNX-UHFFFAOYSA-N
XLogP1.86
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Cyclohexanol, 4-[[4-[5-(dimethylamino)-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]-, trans-
CID 46884199
Cyclohexyl-[4-(3-methyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-amine
CID 49839967
N-[4-[4-[2-ethoxyethyl(methyl)amino]piperidin-1-yl]-3-fluorophenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 155531460
N-[3-fluoro-4-[4-[methyl(oxolan-2-ylmethyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 155546322
4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(oxan-4-yl)pyrimidin-2-amine
CID 30869391
N-isopropyl-4-(3-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 44591706
N-isopropyl-4-(3-(tetrahydro-2H-pyran-3-yl)-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 44591707
N-isopropyl-4-(3-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 44591735
4-(5-methyl-1-propyl-1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 46986051
N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 155513601
N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine
CID 155530983
N-(2-methoxyethyl)-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 164619979

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-N-(oxan-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-N-(oxan-2-ylmethyl)pyrimidin-2-amine (CID 45232180) is 4-(1-methylpyrazol-4-yl)-N-(oxan-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-N-(oxan-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-N-(oxan-2-ylmethyl)pyrimidin-2-amine is Cn1cc(-c2ccnc(NCC3CCCCO3)n2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-N-(oxan-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is ODZFXEDEBDTNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-19-10-11(8-17-19)13-5-6-15-14(18-13)16-9-12-4-2-3-7-20-12/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,15,16,18).
What are the key properties of 4-(1-methylpyrazol-4-yl)-N-(oxan-2-ylmethyl)pyrimidin-2-amine?
4-(1-methylpyrazol-4-yl)-N-(oxan-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-N-(oxan-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 45232180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).