(5S)-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine

C17H28N4 — CID 97232206

IUPAC(5S)-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCc1ncc2c(n1)CCC[C@@H]2NC1CCN(C(C)C)CC1
InChIInChI=1S/C17H28N4/c1-12(2)21-9-7-14(8-10-21)20-17-6-4-5-16-15(17)11-18-13(3)19-16/h11-12,14,17,20H,4-10H2,1-3H3/t17-/m0/s1
InChIKeyCIZSUVQESQNNCF-KRWDZBQOSA-N
MW288.44 g/mol
LogP2.62
Rot. Bonds3

About (5S)-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine

(5S)-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 97232206) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is (5S)-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name(5S)-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID97232206
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name(5S)-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCc1ncc2c(n1)CCC[C@@H]2NC1CCN(C(C)C)CC1
InChIInChI=1S/C17H28N4/c1-12(2)21-9-7-14(8-10-21)20-17-6-4-5-16-15(17)11-18-13(3)19-16/h11-12,14,17,20H,4-10H2,1-3H3/t17-/m0/s1
InChIKeyCIZSUVQESQNNCF-KRWDZBQOSA-N
XLogP2.62
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of (5S)-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 97232206) is (5S)-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for (5S)-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for (5S)-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine is Cc1ncc2c(n1)CCC[C@@H]2NC1CCN(C(C)C)CC1.
What is the InChIKey of (5S)-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is CIZSUVQESQNNCF-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H28N4/c1-12(2)21-9-7-14(8-10-21)20-17-6-4-5-16-15(17)11-18-13(3)19-16/h11-12,14,17,20H,4-10H2,1-3H3/t17-/m0/s1.
What are the key properties of (5S)-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine?
(5S)-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 288.44 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 97232206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).