4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine

C14H24N4O — CID 82745995

IUPAC4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)C2CCOC2C)c1C
InChIInChI=1S/C14H24N4O/c1-5-7-15-13-10(2)14(17-9-16-13)18(4)12-6-8-19-11(12)3/h9,11-12H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyLKPQDHICJBBHOZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.22
Rot. Bonds5

About 4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine

4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 82745995) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID82745995
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)C2CCOC2C)c1C
InChIInChI=1S/C14H24N4O/c1-5-7-15-13-10(2)14(17-9-16-13)18(4)12-6-8-19-11(12)3/h9,11-12H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyLKPQDHICJBBHOZ-UHFFFAOYSA-N
XLogP2.22
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-ethylcyclohexyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80779258
4-N-(4,4-dimethylcyclohexyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80839629
4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 82744642
4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80847611
4-N-(cyclopropylmethyl)-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80799239
5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 107765164
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80851876
4-N,5-dimethyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80792963
4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80761845
N-methyl-N-(2-methyloxolan-3-yl)-5-[1-(propylamino)ethyl]pyridin-2-amine
CID 82740348
4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778927
4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 81068418

Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine (CID 82745995) is 4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(N(C)C2CCOC2C)c1C.
What is the InChIKey of 4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is LKPQDHICJBBHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-7-15-13-10(2)14(17-9-16-13)18(4)12-6-8-19-11(12)3/h9,11-12H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine?
4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 82745995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).