6-methyl-7-phenylmethoxy-4-N-[(3R)-piperidin-3-yl]quinazoline-2,4-diamine

C21H25N5O — CID 159978683

IUPAC6-methyl-7-phenylmethoxy-4-N-[(3R)-piperidin-3-yl]quinazoline-2,4-diamine
SMILESCc1cc2c(N[C@@H]3CCCNC3)nc(N)nc2cc1OCc1ccccc1
InChIInChI=1S/C21H25N5O/c1-14-10-17-18(11-19(14)27-13-15-6-3-2-4-7-15)25-21(22)26-20(17)24-16-8-5-9-23-12-16/h2-4,6-7,10-11,16,23H,5,8-9,12-13H2,1H3,(H3,22,24,25,26)/t16-/m1/s1
InChIKeyRMXVQIAHQNMGSO-MRXNPFEDSA-N
MW363.47 g/mol
LogP3.26
Rot. Bonds5

About 6-methyl-7-phenylmethoxy-4-N-[(3R)-piperidin-3-yl]quinazoline-2,4-diamine

6-methyl-7-phenylmethoxy-4-N-[(3R)-piperidin-3-yl]quinazoline-2,4-diamine (PubChem CID 159978683) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-methyl-7-phenylmethoxy-4-N-[(3R)-piperidin-3-yl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-methyl-7-phenylmethoxy-4-N-[(3R)-piperidin-3-yl]quinazoline-2,4-diamine
PubChem CID159978683
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name6-methyl-7-phenylmethoxy-4-N-[(3R)-piperidin-3-yl]quinazoline-2,4-diamine
SMILESCc1cc2c(N[C@@H]3CCCNC3)nc(N)nc2cc1OCc1ccccc1
InChIInChI=1S/C21H25N5O/c1-14-10-17-18(11-19(14)27-13-15-6-3-2-4-7-15)25-21(22)26-20(17)24-16-8-5-9-23-12-16/h2-4,6-7,10-11,16,23H,5,8-9,12-13H2,1H3,(H3,22,24,25,26)/t16-/m1/s1
InChIKeyRMXVQIAHQNMGSO-MRXNPFEDSA-N
XLogP3.26
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-methyl-7-phenylmethoxy-4-N-[(3R)-piperidin-3-yl]quinazoline-2,4-diamine with MolForge

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Related Compounds

4-N-cyclohexyl-6-(2-phenylmethoxyphenyl)quinazoline-2,4-diamine
CID 69013354
4-N-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)quinazoline-2,4-diamine
CID 69015363
4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine
CID 57342963
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol
CID 142686963
4-N-cyclooctylquinazoline-2,4-diamine
CID 80786546
2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine
CID 71642523
4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine
CID 69014350
3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine
CID 68596615
cyclohexanamine;N-cyclohexyl-6-methoxy-7-phenylmethoxy-2-pyrrolidin-1-ylquinazolin-4-amine;2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline
CID 158200899
N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine
CID 141288058
benzyl formate;piperidin-3-ylhydrazine
CID 174774253
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-phenylmethoxy-4-N-[(3R)-piperidin-3-yl]quinazoline-2,4-diamine?
The IUPAC name of 6-methyl-7-phenylmethoxy-4-N-[(3R)-piperidin-3-yl]quinazoline-2,4-diamine (CID 159978683) is 6-methyl-7-phenylmethoxy-4-N-[(3R)-piperidin-3-yl]quinazoline-2,4-diamine.
What is the SMILES notation for 6-methyl-7-phenylmethoxy-4-N-[(3R)-piperidin-3-yl]quinazoline-2,4-diamine?
The canonical SMILES for 6-methyl-7-phenylmethoxy-4-N-[(3R)-piperidin-3-yl]quinazoline-2,4-diamine is Cc1cc2c(N[C@@H]3CCCNC3)nc(N)nc2cc1OCc1ccccc1.
What is the InChIKey of 6-methyl-7-phenylmethoxy-4-N-[(3R)-piperidin-3-yl]quinazoline-2,4-diamine?
The InChIKey is RMXVQIAHQNMGSO-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14-10-17-18(11-19(14)27-13-15-6-3-2-4-7-15)25-21(22)26-20(17)24-16-8-5-9-23-12-16/h2-4,6-7,10-11,16,23H,5,8-9,12-13H2,1H3,(H3,22,24,25,26)/t16-/m1/s1.
What are the key properties of 6-methyl-7-phenylmethoxy-4-N-[(3R)-piperidin-3-yl]quinazoline-2,4-diamine?
6-methyl-7-phenylmethoxy-4-N-[(3R)-piperidin-3-yl]quinazoline-2,4-diamine has a molecular weight of 363.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-phenylmethoxy-4-N-[(3R)-piperidin-3-yl]quinazoline-2,4-diamine is sourced from PubChem (CID 159978683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).