5,6-dimethyl-4-N-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine;ethane

C12H22N4O — CID 143970006

IUPAC5,6-dimethyl-4-N-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine;ethane
SMILESCC.Cc1nc(N)nc(N[C@@H]2CCOC2)c1C
InChIInChI=1S/C10H16N4O.C2H6/c1-6-7(2)12-10(11)14-9(6)13-8-3-4-15-5-8;1-2/h8H,3-5H2,1-2H3,(H3,11,12,13,14);1-2H3/t8-;/m1./s1
InChIKeySBKHJZJVUMONAW-DDWIOCJRSA-N
MW238.33 g/mol
LogP1.90
Rot. Bonds2

About 5,6-dimethyl-4-N-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine;ethane

5,6-dimethyl-4-N-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine;ethane (PubChem CID 143970006) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5,6-dimethyl-4-N-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine;ethane.

Molecular Properties

Compound Name5,6-dimethyl-4-N-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine;ethane
PubChem CID143970006
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5,6-dimethyl-4-N-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine;ethane
SMILESCC.Cc1nc(N)nc(N[C@@H]2CCOC2)c1C
InChIInChI=1S/C10H16N4O.C2H6/c1-6-7(2)12-10(11)14-9(6)13-8-3-4-15-5-8;1-2/h8H,3-5H2,1-2H3,(H3,11,12,13,14);1-2H3/t8-;/m1./s1
InChIKeySBKHJZJVUMONAW-DDWIOCJRSA-N
XLogP1.90
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-N-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine;ethane?
The IUPAC name of 5,6-dimethyl-4-N-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine;ethane (CID 143970006) is 5,6-dimethyl-4-N-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine;ethane.
What is the SMILES notation for 5,6-dimethyl-4-N-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine;ethane?
The canonical SMILES for 5,6-dimethyl-4-N-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine;ethane is CC.Cc1nc(N)nc(N[C@@H]2CCOC2)c1C.
What is the InChIKey of 5,6-dimethyl-4-N-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine;ethane?
The InChIKey is SBKHJZJVUMONAW-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H16N4O.C2H6/c1-6-7(2)12-10(11)14-9(6)13-8-3-4-15-5-8;1-2/h8H,3-5H2,1-2H3,(H3,11,12,13,14);1-2H3/t8-;/m1./s1.
What are the key properties of 5,6-dimethyl-4-N-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine;ethane?
5,6-dimethyl-4-N-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine;ethane has a molecular weight of 238.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-N-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine;ethane is sourced from PubChem (CID 143970006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).