(5R)-2-N,2-N-dimethyl-5-N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,5-diamine

C20H28N4O — CID 26408919

IUPAC(5R)-2-N,2-N-dimethyl-5-N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,5-diamine
SMILESCC(C)Oc1ccc(CN[C@@H]2CCCc3nc(N(C)C)ncc32)cc1
InChIInChI=1S/C20H28N4O/c1-14(2)25-16-10-8-15(9-11-16)12-21-18-6-5-7-19-17(18)13-22-20(23-19)24(3)4/h8-11,13-14,18,21H,5-7,12H2,1-4H3/t18-/m1/s1
InChIKeyPSFKEBAMRHPICH-GOSISDBHSA-N
MW340.47 g/mol
LogP3.50
Rot. Bonds6

About (5R)-2-N,2-N-dimethyl-5-N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,5-diamine

(5R)-2-N,2-N-dimethyl-5-N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,5-diamine (PubChem CID 26408919) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (5R)-2-N,2-N-dimethyl-5-N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,5-diamine.

Molecular Properties

Compound Name(5R)-2-N,2-N-dimethyl-5-N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,5-diamine
PubChem CID26408919
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(5R)-2-N,2-N-dimethyl-5-N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,5-diamine
SMILESCC(C)Oc1ccc(CN[C@@H]2CCCc3nc(N(C)C)ncc32)cc1
InChIInChI=1S/C20H28N4O/c1-14(2)25-16-10-8-15(9-11-16)12-21-18-6-5-7-19-17(18)13-22-20(23-19)24(3)4/h8-11,13-14,18,21H,5-7,12H2,1-4H3/t18-/m1/s1
InChIKeyPSFKEBAMRHPICH-GOSISDBHSA-N
XLogP3.50
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-N,2-N-dimethyl-5-N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,5-diamine?
The IUPAC name of (5R)-2-N,2-N-dimethyl-5-N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,5-diamine (CID 26408919) is (5R)-2-N,2-N-dimethyl-5-N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,5-diamine.
What is the SMILES notation for (5R)-2-N,2-N-dimethyl-5-N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,5-diamine?
The canonical SMILES for (5R)-2-N,2-N-dimethyl-5-N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,5-diamine is CC(C)Oc1ccc(CN[C@@H]2CCCc3nc(N(C)C)ncc32)cc1.
What is the InChIKey of (5R)-2-N,2-N-dimethyl-5-N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,5-diamine?
The InChIKey is PSFKEBAMRHPICH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14(2)25-16-10-8-15(9-11-16)12-21-18-6-5-7-19-17(18)13-22-20(23-19)24(3)4/h8-11,13-14,18,21H,5-7,12H2,1-4H3/t18-/m1/s1.
What are the key properties of (5R)-2-N,2-N-dimethyl-5-N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,5-diamine?
(5R)-2-N,2-N-dimethyl-5-N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,5-diamine has a molecular weight of 340.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-N,2-N-dimethyl-5-N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,5-diamine is sourced from PubChem (CID 26408919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).