amino-[1-[5-(2,5-dichloropyrimidin-4-yl)-3-methylidenepent-1-en-2-yl]cyclopropyl]methanol

C14H17Cl2N3O — CID 123379092

IUPACamino-[1-[5-(2,5-dichloropyrimidin-4-yl)-3-methylidenepent-1-en-2-yl]cyclopropyl]methanol
SMILESC=C(CCc1nc(Cl)ncc1Cl)C(=C)C1(C(N)O)CC1
InChIInChI=1S/C14H17Cl2N3O/c1-8(9(2)14(5-6-14)12(17)20)3-4-11-10(15)7-18-13(16)19-11/h7,12,20H,1-6,17H2
InChIKeyQMLFTZMYJALNCP-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.89
Rot. Bonds6

About amino-[1-[5-(2,5-dichloropyrimidin-4-yl)-3-methylidenepent-1-en-2-yl]cyclopropyl]methanol

amino-[1-[5-(2,5-dichloropyrimidin-4-yl)-3-methylidenepent-1-en-2-yl]cyclopropyl]methanol (PubChem CID 123379092) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is amino-[1-[5-(2,5-dichloropyrimidin-4-yl)-3-methylidenepent-1-en-2-yl]cyclopropyl]methanol.

Molecular Properties

Compound Nameamino-[1-[5-(2,5-dichloropyrimidin-4-yl)-3-methylidenepent-1-en-2-yl]cyclopropyl]methanol
PubChem CID123379092
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Nameamino-[1-[5-(2,5-dichloropyrimidin-4-yl)-3-methylidenepent-1-en-2-yl]cyclopropyl]methanol
SMILESC=C(CCc1nc(Cl)ncc1Cl)C(=C)C1(C(N)O)CC1
InChIInChI=1S/C14H17Cl2N3O/c1-8(9(2)14(5-6-14)12(17)20)3-4-11-10(15)7-18-13(16)19-11/h7,12,20H,1-6,17H2
InChIKeyQMLFTZMYJALNCP-UHFFFAOYSA-N
XLogP2.89
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze amino-[1-[5-(2,5-dichloropyrimidin-4-yl)-3-methylidenepent-1-en-2-yl]cyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2Z,4E)-3-[2-(2,5-dichloropyrimidin-4-yl)ethyl]hepta-2,4-dien-4-yl]cyclopropane-1-carbaldehyde;methanamine
CID 144572142
4-(2,5-Dichloropyrimidin-4-yl)-3-methylbutan-1-ol
CID 161196806

Frequently Asked Questions

What is the IUPAC name of amino-[1-[5-(2,5-dichloropyrimidin-4-yl)-3-methylidenepent-1-en-2-yl]cyclopropyl]methanol?
The IUPAC name of amino-[1-[5-(2,5-dichloropyrimidin-4-yl)-3-methylidenepent-1-en-2-yl]cyclopropyl]methanol (CID 123379092) is amino-[1-[5-(2,5-dichloropyrimidin-4-yl)-3-methylidenepent-1-en-2-yl]cyclopropyl]methanol.
What is the SMILES notation for amino-[1-[5-(2,5-dichloropyrimidin-4-yl)-3-methylidenepent-1-en-2-yl]cyclopropyl]methanol?
The canonical SMILES for amino-[1-[5-(2,5-dichloropyrimidin-4-yl)-3-methylidenepent-1-en-2-yl]cyclopropyl]methanol is C=C(CCc1nc(Cl)ncc1Cl)C(=C)C1(C(N)O)CC1.
What is the InChIKey of amino-[1-[5-(2,5-dichloropyrimidin-4-yl)-3-methylidenepent-1-en-2-yl]cyclopropyl]methanol?
The InChIKey is QMLFTZMYJALNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O/c1-8(9(2)14(5-6-14)12(17)20)3-4-11-10(15)7-18-13(16)19-11/h7,12,20H,1-6,17H2.
What are the key properties of amino-[1-[5-(2,5-dichloropyrimidin-4-yl)-3-methylidenepent-1-en-2-yl]cyclopropyl]methanol?
amino-[1-[5-(2,5-dichloropyrimidin-4-yl)-3-methylidenepent-1-en-2-yl]cyclopropyl]methanol has a molecular weight of 314.22 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[1-[5-(2,5-dichloropyrimidin-4-yl)-3-methylidenepent-1-en-2-yl]cyclopropyl]methanol is sourced from PubChem (CID 123379092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).