4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine

C14H27N5 — CID 80816058

IUPAC4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)CN(CC)CC)ncn1
InChIInChI=1S/C14H27N5/c1-5-8-15-13-9-14(17-11-16-13)18-12(4)10-19(6-2)7-3/h9,11-12H,5-8,10H2,1-4H3,(H2,15,16,17,18)
InChIKeyRELZCGQOIZHQAY-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.44
Rot. Bonds9

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

4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80816058) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80816058
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)CN(CC)CC)ncn1
InChIInChI=1S/C14H27N5/c1-5-8-15-13-9-14(17-11-16-13)18-12(4)10-19(6-2)7-3/h9,11-12H,5-8,10H2,1-4H3,(H2,15,16,17,18)
InChIKeyRELZCGQOIZHQAY-UHFFFAOYSA-N
XLogP2.44
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80783948
4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80817415
6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80781949
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
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80850356
4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80827059
4-N-[1-(diethylamino)propan-2-yl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80816428
3-methyl-4-[[6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80851233
4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80781938
4-N-prop-2-enyl-6-N-propylpyrimidine-4,6-diamine
CID 112854486

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine (CID 80816058) is 4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(C)CN(CC)CC)ncn1.
What is the InChIKey of 4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is RELZCGQOIZHQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-5-8-15-13-9-14(17-11-16-13)18-12(4)10-19(6-2)7-3/h9,11-12H,5-8,10H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine?
4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80816058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).