10-cyclopropyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-ol;hydrochloride

C16H21ClN2O — CID 45263985

IUPAC10-cyclopropyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-ol;hydrochloride
SMILESCC1(C)CN=C2N(C1)c1ccccc1C2(O)C1CC1.Cl
InChIInChI=1S/C16H20N2O.ClH/c1-15(2)9-17-14-16(19,11-7-8-11)12-5-3-4-6-13(12)18(14)10-15;/h3-6,11,19H,7-10H2,1-2H3;1H
InChIKeyJOGYQXGEBYVNIU-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.96
Rot. Bonds1

About 10-cyclopropyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-ol;hydrochloride

10-cyclopropyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-ol;hydrochloride (PubChem CID 45263985) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 10-cyclopropyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-ol;hydrochloride.

Molecular Properties

Compound Name10-cyclopropyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-ol;hydrochloride
PubChem CID45263985
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name10-cyclopropyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-ol;hydrochloride
SMILESCC1(C)CN=C2N(C1)c1ccccc1C2(O)C1CC1.Cl
InChIInChI=1S/C16H20N2O.ClH/c1-15(2)9-17-14-16(19,11-7-8-11)12-5-3-4-6-13(12)18(14)10-15;/h3-6,11,19H,7-10H2,1-2H3;1H
InChIKeyJOGYQXGEBYVNIU-UHFFFAOYSA-N
XLogP2.96
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-cyclopropyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-ol;hydrochloride?
The IUPAC name of 10-cyclopropyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-ol;hydrochloride (CID 45263985) is 10-cyclopropyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-ol;hydrochloride.
What is the SMILES notation for 10-cyclopropyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-ol;hydrochloride?
The canonical SMILES for 10-cyclopropyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-ol;hydrochloride is CC1(C)CN=C2N(C1)c1ccccc1C2(O)C1CC1.Cl.
What is the InChIKey of 10-cyclopropyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-ol;hydrochloride?
The InChIKey is JOGYQXGEBYVNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O.ClH/c1-15(2)9-17-14-16(19,11-7-8-11)12-5-3-4-6-13(12)18(14)10-15;/h3-6,11,19H,7-10H2,1-2H3;1H.
What are the key properties of 10-cyclopropyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-ol;hydrochloride?
10-cyclopropyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-ol;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclopropyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-ol;hydrochloride is sourced from PubChem (CID 45263985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).