4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine

C13H24N4O — CID 80815004

IUPAC4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CC)C(C)COC)ncn1
InChIInChI=1S/C13H24N4O/c1-5-7-14-12-8-13(16-10-15-12)17(6-2)11(3)9-18-4/h8,10-11H,5-7,9H2,1-4H3,(H,14,15,16)
InChIKeyBDDXRBUMSAKCCC-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.16
Rot. Bonds8

About 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine

4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80815004) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80815004
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CC)C(C)COC)ncn1
InChIInChI=1S/C13H24N4O/c1-5-7-14-12-8-13(16-10-15-12)17(6-2)11(3)9-18-4/h8,10-11H,5-7,9H2,1-4H3,(H,14,15,16)
InChIKeyBDDXRBUMSAKCCC-UHFFFAOYSA-N
XLogP2.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine
CID 80814670
4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80850356
4-N-butan-2-yl-4-N,6-N-diethylpyrimidine-4,6-diamine
CID 80782465
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80775376
3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157111
2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80961967
6-(2-methylpropoxy)-N-propylpyrimidin-4-amine
CID 80860454
2-methyl-3-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80810451
4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80839751
4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine
CID 80816058
4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80817660

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine (CID 80815004) is 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(CC)C(C)COC)ncn1.
What is the InChIKey of 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is BDDXRBUMSAKCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-7-14-12-8-13(16-10-15-12)17(6-2)11(3)9-18-4/h8,10-11H,5-7,9H2,1-4H3,(H,14,15,16).
What are the key properties of 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80815004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).