8-(2-fluoropropan-2-yl)-N-[(2S)-1-[4-(methoxymethyl)piperazin-1-yl]propan-2-yl]quinazolin-4-amine

C20H30FN5O — CID 156752476

IUPAC8-(2-fluoropropan-2-yl)-N-[(2S)-1-[4-(methoxymethyl)piperazin-1-yl]propan-2-yl]quinazolin-4-amine
SMILESCOCN1CCN(C[C@H](C)Nc2ncnc3c(C(C)(C)F)cccc23)CC1
InChIInChI=1S/C20H30FN5O/c1-15(12-25-8-10-26(11-9-25)14-27-4)24-19-16-6-5-7-17(20(2,3)21)18(16)22-13-23-19/h5-7,13,15H,8-12,14H2,1-4H3,(H,22,23,24)/t15-/m0/s1
InChIKeyRMUWONZEONTXOP-HNNXBMFYSA-N
MW375.49 g/mol
LogP2.86
Rot. Bonds7

About 8-(2-fluoropropan-2-yl)-N-[(2S)-1-[4-(methoxymethyl)piperazin-1-yl]propan-2-yl]quinazolin-4-amine

8-(2-fluoropropan-2-yl)-N-[(2S)-1-[4-(methoxymethyl)piperazin-1-yl]propan-2-yl]quinazolin-4-amine (PubChem CID 156752476) has the molecular formula C20H30FN5O and a molecular weight of 375.49 g/mol. Its IUPAC name is 8-(2-fluoropropan-2-yl)-N-[(2S)-1-[4-(methoxymethyl)piperazin-1-yl]propan-2-yl]quinazolin-4-amine.

Molecular Properties

Compound Name8-(2-fluoropropan-2-yl)-N-[(2S)-1-[4-(methoxymethyl)piperazin-1-yl]propan-2-yl]quinazolin-4-amine
PubChem CID156752476
Molecular FormulaC20H30FN5O
Molecular Weight375.49 g/mol
Exact Mass375.24
IUPAC Name8-(2-fluoropropan-2-yl)-N-[(2S)-1-[4-(methoxymethyl)piperazin-1-yl]propan-2-yl]quinazolin-4-amine
SMILESCOCN1CCN(C[C@H](C)Nc2ncnc3c(C(C)(C)F)cccc23)CC1
InChIInChI=1S/C20H30FN5O/c1-15(12-25-8-10-26(11-9-25)14-27-4)24-19-16-6-5-7-17(20(2,3)21)18(16)22-13-23-19/h5-7,13,15H,8-12,14H2,1-4H3,(H,22,23,24)/t15-/m0/s1
InChIKeyRMUWONZEONTXOP-HNNXBMFYSA-N
XLogP2.86
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(2-fluoropropan-2-yl)-N-[(2S)-1-[4-(methoxymethyl)piperazin-1-yl]propan-2-yl]quinazolin-4-amine with MolForge

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Related Compounds

(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
N-(2-phenylethyl)quinazolin-4-amine
CID 198909
N-Cyclohexylquinazolin-4-amine
CID 13231190
4-(4-Methylpiperazin-1-yl)quinazoline
CID 21029584
N-(4-{[(2-Methoxyethyl)amino]methyl}phenyl)-6-(Pyridin-4-Yl)quinazolin-2-Amine
CID 70702306
2-(4-Methylpiperazin-1-yl)quinazolin-4-amine
CID 1403136
{4-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-cyclohexyl}-quinazolin-4-yl-amine
CID 10740593
4-amino-6-[[(1S)-1-[6-fluoro-4-(2-methoxyethylamino)-3-phenylquinolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 49872835
4-Amino-6-[1-[6-fluoro-4-(2-hydroxyethylamino)-3-phenylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 49872924
Phenethyl-(2-pyridin-2-yl-quinazolin-4-yl)-amine
CID 937982
N-(1-phenylethyl)-2-(piperidin-1-yl)quinazolin-4-amine
CID 2956995

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoropropan-2-yl)-N-[(2S)-1-[4-(methoxymethyl)piperazin-1-yl]propan-2-yl]quinazolin-4-amine?
The IUPAC name of 8-(2-fluoropropan-2-yl)-N-[(2S)-1-[4-(methoxymethyl)piperazin-1-yl]propan-2-yl]quinazolin-4-amine (CID 156752476) is 8-(2-fluoropropan-2-yl)-N-[(2S)-1-[4-(methoxymethyl)piperazin-1-yl]propan-2-yl]quinazolin-4-amine.
What is the SMILES notation for 8-(2-fluoropropan-2-yl)-N-[(2S)-1-[4-(methoxymethyl)piperazin-1-yl]propan-2-yl]quinazolin-4-amine?
The canonical SMILES for 8-(2-fluoropropan-2-yl)-N-[(2S)-1-[4-(methoxymethyl)piperazin-1-yl]propan-2-yl]quinazolin-4-amine is COCN1CCN(C[C@H](C)Nc2ncnc3c(C(C)(C)F)cccc23)CC1.
What is the InChIKey of 8-(2-fluoropropan-2-yl)-N-[(2S)-1-[4-(methoxymethyl)piperazin-1-yl]propan-2-yl]quinazolin-4-amine?
The InChIKey is RMUWONZEONTXOP-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H30FN5O/c1-15(12-25-8-10-26(11-9-25)14-27-4)24-19-16-6-5-7-17(20(2,3)21)18(16)22-13-23-19/h5-7,13,15H,8-12,14H2,1-4H3,(H,22,23,24)/t15-/m0/s1.
What are the key properties of 8-(2-fluoropropan-2-yl)-N-[(2S)-1-[4-(methoxymethyl)piperazin-1-yl]propan-2-yl]quinazolin-4-amine?
8-(2-fluoropropan-2-yl)-N-[(2S)-1-[4-(methoxymethyl)piperazin-1-yl]propan-2-yl]quinazolin-4-amine has a molecular weight of 375.49 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoropropan-2-yl)-N-[(2S)-1-[4-(methoxymethyl)piperazin-1-yl]propan-2-yl]quinazolin-4-amine is sourced from PubChem (CID 156752476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).