4-methyl-6-(oxolan-3-yl)-1H-pyrimidine-2,4-diamine

C9H16N4O — CID 154358483

IUPAC4-methyl-6-(oxolan-3-yl)-1H-pyrimidine-2,4-diamine
SMILESCC1(N)C=C(C2CCOC2)NC(N)=N1
InChIInChI=1S/C9H16N4O/c1-9(11)4-7(12-8(10)13-9)6-2-3-14-5-6/h4,6H,2-3,5,11H2,1H3,(H3,10,12,13)
InChIKeyUABCPZHWGAZTCN-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.50
Rot. Bonds1

About 4-methyl-6-(oxolan-3-yl)-1H-pyrimidine-2,4-diamine

4-methyl-6-(oxolan-3-yl)-1H-pyrimidine-2,4-diamine (PubChem CID 154358483) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-methyl-6-(oxolan-3-yl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-methyl-6-(oxolan-3-yl)-1H-pyrimidine-2,4-diamine
PubChem CID154358483
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-methyl-6-(oxolan-3-yl)-1H-pyrimidine-2,4-diamine
SMILESCC1(N)C=C(C2CCOC2)NC(N)=N1
InChIInChI=1S/C9H16N4O/c1-9(11)4-7(12-8(10)13-9)6-2-3-14-5-6/h4,6H,2-3,5,11H2,1H3,(H3,10,12,13)
InChIKeyUABCPZHWGAZTCN-UHFFFAOYSA-N
XLogP-0.50
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(oxolan-3-yl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-methyl-6-(oxolan-3-yl)-1H-pyrimidine-2,4-diamine (CID 154358483) is 4-methyl-6-(oxolan-3-yl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-methyl-6-(oxolan-3-yl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-methyl-6-(oxolan-3-yl)-1H-pyrimidine-2,4-diamine is CC1(N)C=C(C2CCOC2)NC(N)=N1.
What is the InChIKey of 4-methyl-6-(oxolan-3-yl)-1H-pyrimidine-2,4-diamine?
The InChIKey is UABCPZHWGAZTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(11)4-7(12-8(10)13-9)6-2-3-14-5-6/h4,6H,2-3,5,11H2,1H3,(H3,10,12,13).
What are the key properties of 4-methyl-6-(oxolan-3-yl)-1H-pyrimidine-2,4-diamine?
4-methyl-6-(oxolan-3-yl)-1H-pyrimidine-2,4-diamine has a molecular weight of 196.25 g/mol, XLogP of -0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(oxolan-3-yl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154358483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).