4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-(pyrazin-2-ylmethyl)pyrimidine-2,4-diamine

C14H18N6O — CID 126423525

IUPAC4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-(pyrazin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(Cc1cnccn1)c1cc([C@H]2CCOC2)nc(N)n1
InChIInChI=1S/C14H18N6O/c1-20(8-11-7-16-3-4-17-11)13-6-12(18-14(15)19-13)10-2-5-21-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3,(H2,15,18,19)/t10-/m0/s1
InChIKeyQMICNXWARTVURK-JTQLQIEISA-N
MW286.34 g/mol
LogP0.99
Rot. Bonds4

About 4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-(pyrazin-2-ylmethyl)pyrimidine-2,4-diamine

4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-(pyrazin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 126423525) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-(pyrazin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-(pyrazin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID126423525
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-(pyrazin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(Cc1cnccn1)c1cc([C@H]2CCOC2)nc(N)n1
InChIInChI=1S/C14H18N6O/c1-20(8-11-7-16-3-4-17-11)13-6-12(18-14(15)19-13)10-2-5-21-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3,(H2,15,18,19)/t10-/m0/s1
InChIKeyQMICNXWARTVURK-JTQLQIEISA-N
XLogP0.99
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-(pyrazin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-(pyrazin-2-ylmethyl)pyrimidine-2,4-diamine (CID 126423525) is 4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-(pyrazin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-(pyrazin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-(pyrazin-2-ylmethyl)pyrimidine-2,4-diamine is CN(Cc1cnccn1)c1cc([C@H]2CCOC2)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-(pyrazin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is QMICNXWARTVURK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N6O/c1-20(8-11-7-16-3-4-17-11)13-6-12(18-14(15)19-13)10-2-5-21-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3,(H2,15,18,19)/t10-/m0/s1.
What are the key properties of 4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-(pyrazin-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-(pyrazin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 286.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-(pyrazin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 126423525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).