N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-(oxolan-3-yl)pyrimidin-4-amine

C19H27N5O — CID 118782464

IUPACN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(CC2(CNc3cc(C4CCOC4)nc(C)n3)CC2)n1
InChIInChI=1S/C19H27N5O/c1-13-8-14(2)24(23-13)12-19(5-6-19)11-20-18-9-17(21-15(3)22-18)16-4-7-25-10-16/h8-9,16H,4-7,10-12H2,1-3H3,(H,20,21,22)
InChIKeyJPUDXTOVWVLWNE-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.99
Rot. Bonds6

About N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-(oxolan-3-yl)pyrimidin-4-amine

N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 118782464) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID118782464
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(CC2(CNc3cc(C4CCOC4)nc(C)n3)CC2)n1
InChIInChI=1S/C19H27N5O/c1-13-8-14(2)24(23-13)12-19(5-6-19)11-20-18-9-17(21-15(3)22-18)16-4-7-25-10-16/h8-9,16H,4-7,10-12H2,1-3H3,(H,20,21,22)
InChIKeyJPUDXTOVWVLWNE-UHFFFAOYSA-N
XLogP2.99
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-(oxolan-3-yl)pyrimidin-4-amine (CID 118782464) is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-(oxolan-3-yl)pyrimidin-4-amine is Cc1cc(C)n(CC2(CNc3cc(C4CCOC4)nc(C)n3)CC2)n1.
What is the InChIKey of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is JPUDXTOVWVLWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-13-8-14(2)24(23-13)12-19(5-6-19)11-20-18-9-17(21-15(3)22-18)16-4-7-25-10-16/h8-9,16H,4-7,10-12H2,1-3H3,(H,20,21,22).
What are the key properties of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-(oxolan-3-yl)pyrimidin-4-amine?
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 341.46 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 118782464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).