(Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol

C10H13N5O — CID 688597

IUPAC(Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol
SMILESC/C(=C/CNc1ncnc2nc[nH]c12)CO
InChIInChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2-
InChIKeyUZKQTCBAMSWPJD-UQCOIBPSSA-N
MW219.25 g/mol
LogP0.70
Rot. Bonds4

About (Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol

(Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol (PubChem CID 688597) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is (Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol
PubChem CID688597
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name(Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol
SMILESC/C(=C/CNc1ncnc2nc[nH]c12)CO
InChIInChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2-
InChIKeyUZKQTCBAMSWPJD-UQCOIBPSSA-N
XLogP0.70
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Zeatin
CID 449093
Isopentenyladenine
CID 92180
Dihydrozeatin
CID 439631
Adenine,N6-3-methoxypropyl
CID 2155044
2-(1H-Purin-6-ylamino)ethanol
CID 20684
(+-)-Dihydrozeatin
CID 32021
Adenine,N6-propyl
CID 2155040
(2R)-2-Methyl-4-(9H-purin-6-ylamino)-1-butanol
CID 688447
3H-Purin-6-amine, 3-(3-methyl-2-butenyl)-
CID 441540
9-(4-Hydroxy-2-buten-1-yl)adenine
CID 6439007
Adenine,N6-I-propyl
CID 907882
2-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylamino)-
CID 15419

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol?
The IUPAC name of (Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol (CID 688597) is (Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol.
What is the SMILES notation for (Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol?
The canonical SMILES for (Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol is C/C(=C/CNc1ncnc2nc[nH]c12)CO.
What is the InChIKey of (Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol?
The InChIKey is UZKQTCBAMSWPJD-UQCOIBPSSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2-.
What are the key properties of (Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol?
(Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol has a molecular weight of 219.25 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol is sourced from PubChem (CID 688597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).