[(3R,4R)-1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol

C20H33N5O — CID 72890685

IUPAC[(3R,4R)-1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCN(C)c1nc2c(c(N3C[C@@H](CN4CCCC4)[C@@H](CO)C3)n1)CCCC2
InChIInChI=1S/C20H33N5O/c1-23(2)20-21-18-8-4-3-7-17(18)19(22-20)25-12-15(16(13-25)14-26)11-24-9-5-6-10-24/h15-16,26H,3-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyPZZVWJOOASZYMP-HZPDHXFCSA-N
MW359.52 g/mol
LogP1.56
Rot. Bonds5

About [(3R,4R)-1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol

[(3R,4R)-1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 72890685) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is [(3R,4R)-1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID72890685
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name[(3R,4R)-1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCN(C)c1nc2c(c(N3C[C@@H](CN4CCCC4)[C@@H](CO)C3)n1)CCCC2
InChIInChI=1S/C20H33N5O/c1-23(2)20-21-18-8-4-3-7-17(18)19(22-20)25-12-15(16(13-25)14-26)11-24-9-5-6-10-24/h15-16,26H,3-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyPZZVWJOOASZYMP-HZPDHXFCSA-N
XLogP1.56
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol (CID 72890685) is [(3R,4R)-1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol is CN(C)c1nc2c(c(N3C[C@@H](CN4CCCC4)[C@@H](CO)C3)n1)CCCC2.
What is the InChIKey of [(3R,4R)-1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is PZZVWJOOASZYMP-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H33N5O/c1-23(2)20-21-18-8-4-3-7-17(18)19(22-20)25-12-15(16(13-25)14-26)11-24-9-5-6-10-24/h15-16,26H,3-14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of [(3R,4R)-1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 359.52 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 72890685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).