4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine

C13H22N4O — CID 80781938

IUPAC4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)C2CCCO2)ncn1
InChIInChI=1S/C13H22N4O/c1-3-6-14-12-8-13(16-9-15-12)17-10(2)11-5-4-7-18-11/h8-11H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyHOSFSADHRQDICN-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.28
Rot. Bonds6

About 4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine

4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80781938) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80781938
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)C2CCCO2)ncn1
InChIInChI=1S/C13H22N4O/c1-3-6-14-12-8-13(16-9-15-12)17-10(2)11-5-4-7-18-11/h8-11H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyHOSFSADHRQDICN-UHFFFAOYSA-N
XLogP2.28
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80933538
4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80827059
6-imidazol-1-yl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrimidin-4-amine
CID 95635195
4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80783948
6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine
CID 80940573
4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80817415
4-N-(1-cyclohexylethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80826360
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014887
4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine
CID 80816058
2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80780884

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine (CID 80781938) is 4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(C)C2CCCO2)ncn1.
What is the InChIKey of 4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is HOSFSADHRQDICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-6-14-12-8-13(16-9-15-12)17-10(2)11-5-4-7-18-11/h8-11H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 250.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80781938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).