N-(2-morpholin-4-ylethyl)-4-[(4S)-2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl]pyrimidin-2-amine

C23H33N5O — CID 125461824

IUPACN-(2-morpholin-4-ylethyl)-4-[(4S)-2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl]pyrimidin-2-amine
SMILESCc1cc2c(cc1-c1ccnc(NCCN3CCOCC3)n1)NC(C)(C)C[C@@H]2C
InChIInChI=1S/C23H33N5O/c1-16-13-18-17(2)15-23(3,4)27-21(18)14-19(16)20-5-6-24-22(26-20)25-7-8-28-9-11-29-12-10-28/h5-6,13-14,17,27H,7-12,15H2,1-4H3,(H,24,25,26)/t17-/m0/s1
InChIKeyXAVTUOSVWGMRBM-KRWDZBQOSA-N
MW395.55 g/mol
LogP3.89
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-4-[(4S)-2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl]pyrimidin-2-amine

N-(2-morpholin-4-ylethyl)-4-[(4S)-2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl]pyrimidin-2-amine (PubChem CID 125461824) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-[(4S)-2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-[(4S)-2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl]pyrimidin-2-amine
PubChem CID125461824
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC NameN-(2-morpholin-4-ylethyl)-4-[(4S)-2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl]pyrimidin-2-amine
SMILESCc1cc2c(cc1-c1ccnc(NCCN3CCOCC3)n1)NC(C)(C)C[C@@H]2C
InChIInChI=1S/C23H33N5O/c1-16-13-18-17(2)15-23(3,4)27-21(18)14-19(16)20-5-6-24-22(26-20)25-7-8-28-9-11-29-12-10-28/h5-6,13-14,17,27H,7-12,15H2,1-4H3,(H,24,25,26)/t17-/m0/s1
InChIKeyXAVTUOSVWGMRBM-KRWDZBQOSA-N
XLogP3.89
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Jnj-17029259
CID 11464906
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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-[(4S)-2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl]pyrimidin-2-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-[(4S)-2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl]pyrimidin-2-amine (CID 125461824) is N-(2-morpholin-4-ylethyl)-4-[(4S)-2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-[(4S)-2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl]pyrimidin-2-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-[(4S)-2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl]pyrimidin-2-amine is Cc1cc2c(cc1-c1ccnc(NCCN3CCOCC3)n1)NC(C)(C)C[C@@H]2C.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-[(4S)-2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl]pyrimidin-2-amine?
The InChIKey is XAVTUOSVWGMRBM-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H33N5O/c1-16-13-18-17(2)15-23(3,4)27-21(18)14-19(16)20-5-6-24-22(26-20)25-7-8-28-9-11-29-12-10-28/h5-6,13-14,17,27H,7-12,15H2,1-4H3,(H,24,25,26)/t17-/m0/s1.
What are the key properties of N-(2-morpholin-4-ylethyl)-4-[(4S)-2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl]pyrimidin-2-amine?
N-(2-morpholin-4-ylethyl)-4-[(4S)-2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl]pyrimidin-2-amine has a molecular weight of 395.55 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-[(4S)-2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl]pyrimidin-2-amine is sourced from PubChem (CID 125461824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).