N-[[(2R)-oxolan-2-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine

C15H21N5O — CID 46995456

IUPACN-[[(2R)-oxolan-2-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nn(C)c(C)c1-c1ccnc(NC[C@H]2CCCO2)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)/t12-/m1/s1
InChIKeyZWVWSADFVDWDJC-GFCCVEGCSA-N
MW287.37 g/mol
LogP2.08
Rot. Bonds4

About N-[[(2R)-oxolan-2-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine

N-[[(2R)-oxolan-2-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 46995456) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID46995456
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nn(C)c(C)c1-c1ccnc(NC[C@H]2CCCO2)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)/t12-/m1/s1
InChIKeyZWVWSADFVDWDJC-GFCCVEGCSA-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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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine (CID 46995456) is N-[[(2R)-oxolan-2-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine is Cc1nn(C)c(C)c1-c1ccnc(NC[C@H]2CCCO2)n1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is ZWVWSADFVDWDJC-GFCCVEGCSA-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)/t12-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
N-[[(2R)-oxolan-2-yl]methyl]-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-[[(2R)-oxolan-2-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 46995456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).