N-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine

C15H21N5O — CID 46990297

IUPACN-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nn(C)c(C)c1-c1ccnc(NCC2CCCO2)n1
InChIInChI=1S/C15H21N5O/c1-10-14(11(2)20(3)19-10)13-6-7-16-15(18-13)17-9-12-5-4-8-21-12/h6-7,12H,4-5,8-9H2,1-3H3,(H,16,17,18)
InChIKeyZWVWSADFVDWDJC-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.08
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine

N-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 46990297) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID46990297
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nn(C)c(C)c1-c1ccnc(NCC2CCCO2)n1
InChIInChI=1S/C15H21N5O/c1-10-14(11(2)20(3)19-10)13-6-7-16-15(18-13)17-9-12-5-4-8-21-12/h6-7,12H,4-5,8-9H2,1-3H3,(H,16,17,18)
InChIKeyZWVWSADFVDWDJC-UHFFFAOYSA-N
XLogP2.08
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclobutyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46985481
1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82834331
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 47000569
4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine
CID 56869794
N-(2-methylprop-2-enyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46993257
1-methyl-4-[2-[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol
CID 46999637
N-[(3-chlorophenyl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46984116
2-N-(2-methoxyethyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112885846
4-N-[2-(dimethylamino)ethyl]-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886841
1-(oxolan-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 43180702
2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112884929
[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298407

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine (CID 46990297) is N-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine is Cc1nn(C)c(C)c1-c1ccnc(NCC2CCCO2)n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is ZWVWSADFVDWDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-14(11(2)20(3)19-10)13-6-7-16-15(18-13)17-9-12-5-4-8-21-12/h6-7,12H,4-5,8-9H2,1-3H3,(H,16,17,18).
What are the key properties of N-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
N-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 287.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 46990297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).