N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C17H20F3N5 — CID 56877579

IUPACN-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCc1nc(CNc2nccc(CCC(F)(F)F)n2)nc2c1CCCC2
InChIInChI=1S/C17H20F3N5/c1-11-13-4-2-3-5-14(13)25-15(23-11)10-22-16-21-9-7-12(24-16)6-8-17(18,19)20/h7,9H,2-6,8,10H2,1H3,(H,21,22,24)
InChIKeySHGLVDJGAMIFIR-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.56
Rot. Bonds5

About N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56877579) has the molecular formula C17H20F3N5 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56877579
Molecular FormulaC17H20F3N5
Molecular Weight351.38 g/mol
Exact Mass351.17
IUPAC NameN-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCc1nc(CNc2nccc(CCC(F)(F)F)n2)nc2c1CCCC2
InChIInChI=1S/C17H20F3N5/c1-11-13-4-2-3-5-14(13)25-15(23-11)10-22-16-21-9-7-12(24-16)6-8-17(18,19)20/h7,9H,2-6,8,10H2,1H3,(H,21,22,24)
InChIKeySHGLVDJGAMIFIR-UHFFFAOYSA-N
XLogP3.56
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine with MolForge

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Related Compounds

N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 44590980
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine
CID 71681476
N-methyl-N-[[2-(methylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 138501448
(8S)-N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 138501796
4-phenyl-N-(3-pyridinylmethyl)-6-(trifluoromethyl)-2-pyrimidinamine
CID 756538
4-(difluoromethyl)-6-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 3245232
N-pyridin-2-yl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine
CID 32086004
4-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]-6-phenylpyrimidine-2,4-diamine
CID 71681639
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine
CID 71681807
2-(2-pyridinyl)-6-(trifluoromethyl)-N-[2-(trifluoromethyl)benzyl]-4-pyrimidinamine
CID 1478457
6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 44590979
5-fluoro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 68347136

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56877579) is N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is Cc1nc(CNc2nccc(CCC(F)(F)F)n2)nc2c1CCCC2.
What is the InChIKey of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is SHGLVDJGAMIFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5/c1-11-13-4-2-3-5-14(13)25-15(23-11)10-22-16-21-9-7-12(24-16)6-8-17(18,19)20/h7,9H,2-6,8,10H2,1H3,(H,21,22,24).
What are the key properties of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 351.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56877579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).