[4-[(Z)-amino(3,7-dihydropyrrolo[2,3-d]pyrimidin-4-ylidene)methyl]cyclohexyl]methanol

C14H20N4O — CID 144531546

IUPAC[4-[(Z)-amino(3,7-dihydropyrrolo[2,3-d]pyrimidin-4-ylidene)methyl]cyclohexyl]methanol
SMILESN/C(=C1\NC=Nc2[nH]ccc21)C1CCC(CO)CC1
InChIInChI=1S/C14H20N4O/c15-12(10-3-1-9(7-19)2-4-10)13-11-5-6-16-14(11)18-8-17-13/h5-6,8-10,16,19H,1-4,7,15H2,(H,17,18)/b13-12-
InChIKeyGQRXHEVCAGLINH-SEYXRHQNSA-N
MW260.34 g/mol
LogP1.70
Rot. Bonds2

About [4-[(Z)-amino(3,7-dihydropyrrolo[2,3-d]pyrimidin-4-ylidene)methyl]cyclohexyl]methanol

[4-[(Z)-amino(3,7-dihydropyrrolo[2,3-d]pyrimidin-4-ylidene)methyl]cyclohexyl]methanol (PubChem CID 144531546) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is [4-[(Z)-amino(3,7-dihydropyrrolo[2,3-d]pyrimidin-4-ylidene)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(Z)-amino(3,7-dihydropyrrolo[2,3-d]pyrimidin-4-ylidene)methyl]cyclohexyl]methanol
PubChem CID144531546
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name[4-[(Z)-amino(3,7-dihydropyrrolo[2,3-d]pyrimidin-4-ylidene)methyl]cyclohexyl]methanol
SMILESN/C(=C1\NC=Nc2[nH]ccc21)C1CCC(CO)CC1
InChIInChI=1S/C14H20N4O/c15-12(10-3-1-9(7-19)2-4-10)13-11-5-6-16-14(11)18-8-17-13/h5-6,8-10,16,19H,1-4,7,15H2,(H,17,18)/b13-12-
InChIKeyGQRXHEVCAGLINH-SEYXRHQNSA-N
XLogP1.70
TPSA86.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-amino(3,7-dihydropyrrolo[2,3-d]pyrimidin-4-ylidene)methyl]cyclohexyl]methanol?
The IUPAC name of [4-[(Z)-amino(3,7-dihydropyrrolo[2,3-d]pyrimidin-4-ylidene)methyl]cyclohexyl]methanol (CID 144531546) is [4-[(Z)-amino(3,7-dihydropyrrolo[2,3-d]pyrimidin-4-ylidene)methyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[(Z)-amino(3,7-dihydropyrrolo[2,3-d]pyrimidin-4-ylidene)methyl]cyclohexyl]methanol?
The canonical SMILES for [4-[(Z)-amino(3,7-dihydropyrrolo[2,3-d]pyrimidin-4-ylidene)methyl]cyclohexyl]methanol is N/C(=C1\NC=Nc2[nH]ccc21)C1CCC(CO)CC1.
What is the InChIKey of [4-[(Z)-amino(3,7-dihydropyrrolo[2,3-d]pyrimidin-4-ylidene)methyl]cyclohexyl]methanol?
The InChIKey is GQRXHEVCAGLINH-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H20N4O/c15-12(10-3-1-9(7-19)2-4-10)13-11-5-6-16-14(11)18-8-17-13/h5-6,8-10,16,19H,1-4,7,15H2,(H,17,18)/b13-12-.
What are the key properties of [4-[(Z)-amino(3,7-dihydropyrrolo[2,3-d]pyrimidin-4-ylidene)methyl]cyclohexyl]methanol?
[4-[(Z)-amino(3,7-dihydropyrrolo[2,3-d]pyrimidin-4-ylidene)methyl]cyclohexyl]methanol has a molecular weight of 260.34 g/mol, XLogP of 1.70, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-amino(3,7-dihydropyrrolo[2,3-d]pyrimidin-4-ylidene)methyl]cyclohexyl]methanol is sourced from PubChem (CID 144531546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).