3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol

C12H22N4O — CID 113469264

IUPAC3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1nccc(N(CC)CCCO)n1
InChIInChI=1S/C12H22N4O/c1-3-7-13-12-14-8-6-11(15-12)16(4-2)9-5-10-17/h6,8,17H,3-5,7,9-10H2,1-2H3,(H,13,14,15)
InChIKeyGVFHNFGNLZSXGJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.51
Rot. Bonds8

About 3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol

3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 113469264) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID113469264
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1nccc(N(CC)CCCO)n1
InChIInChI=1S/C12H22N4O/c1-3-7-13-12-14-8-6-11(15-12)16(4-2)9-5-10-17/h6,8,17H,3-5,7,9-10H2,1-2H3,(H,13,14,15)
InChIKeyGVFHNFGNLZSXGJ-UHFFFAOYSA-N
XLogP1.51
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol (CID 113469264) is 3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol is CCCNc1nccc(N(CC)CCCO)n1.
What is the InChIKey of 3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is GVFHNFGNLZSXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-7-13-12-14-8-6-11(15-12)16(4-2)9-5-10-17/h6,8,17H,3-5,7,9-10H2,1-2H3,(H,13,14,15).
What are the key properties of 3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 113469264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).