4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

C18H20N6O2 — CID 126431503

IUPAC4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCN(Cc1cc(-c2ccncc2)no1)c1cc([C@H]2CCOC2)nc(N)n1
InChIInChI=1S/C18H20N6O2/c1-24(10-14-8-16(23-26-14)12-2-5-20-6-3-12)17-9-15(21-18(19)22-17)13-4-7-25-11-13/h2-3,5-6,8-9,13H,4,7,10-11H2,1H3,(H2,19,21,22)/t13-/m0/s1
InChIKeyQLCBYYSDKACTES-ZDUSSCGKSA-N
MW352.40 g/mol
LogP2.25
Rot. Bonds5

About 4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 126431503) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID126431503
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCN(Cc1cc(-c2ccncc2)no1)c1cc([C@H]2CCOC2)nc(N)n1
InChIInChI=1S/C18H20N6O2/c1-24(10-14-8-16(23-26-14)12-2-5-20-6-3-12)17-9-15(21-18(19)22-17)13-4-7-25-11-13/h2-3,5-6,8-9,13H,4,7,10-11H2,1H3,(H2,19,21,22)/t13-/m0/s1
InChIKeyQLCBYYSDKACTES-ZDUSSCGKSA-N
XLogP2.25
TPSA103.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 126431503) is 4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is CN(Cc1cc(-c2ccncc2)no1)c1cc([C@H]2CCOC2)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is QLCBYYSDKACTES-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-24(10-14-8-16(23-26-14)12-2-5-20-6-3-12)17-9-15(21-18(19)22-17)13-4-7-25-11-13/h2-3,5-6,8-9,13H,4,7,10-11H2,1H3,(H2,19,21,22)/t13-/m0/s1.
What are the key properties of 4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 352.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 126431503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).