4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

C16H28N4O — CID 80775412

IUPAC4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)C2CCCO2)c1C(C)C
InChIInChI=1S/C16H28N4O/c1-5-8-17-15-14(11(2)3)16(19-10-18-15)20-12(4)13-7-6-9-21-13/h10-13H,5-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyGEZQQKWWEUDKTM-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.40
Rot. Bonds7

About 4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80775412) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80775412
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)C2CCCO2)c1C(C)C
InChIInChI=1S/C16H28N4O/c1-5-8-17-15-14(11(2)3)16(19-10-18-15)20-12(4)13-7-6-9-21-13/h10-13H,5-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyGEZQQKWWEUDKTM-UHFFFAOYSA-N
XLogP3.40
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (CID 80775412) is 4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NC(C)C2CCCO2)c1C(C)C.
What is the InChIKey of 4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is GEZQQKWWEUDKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-8-17-15-14(11(2)3)16(19-10-18-15)20-12(4)13-7-6-9-21-13/h10-13H,5-9H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 292.43 g/mol, XLogP of 3.40, 7 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]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80775412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).