1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine

C17H21N5 — CID 122095776

IUPAC1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H21N5/c1-21-9-5-8-18-17(21)20-16-10-15(16)13-11-19-22(12-13)14-6-3-2-4-7-14/h2-4,6-7,11-12,15-16H,5,8-10H2,1H3,(H,18,20)/t15-,16+/m0/s1
InChIKeyQNIMZKSNTWRBRV-JKSUJKDBSA-N
MW295.39 g/mol
LogP2.01
Rot. Bonds3

About 1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine

1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 122095776) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID122095776
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H21N5/c1-21-9-5-8-18-17(21)20-16-10-15(16)13-11-19-22(12-13)14-6-3-2-4-7-14/h2-4,6-7,11-12,15-16H,5,8-10H2,1H3,(H,18,20)/t15-,16+/m0/s1
InChIKeyQNIMZKSNTWRBRV-JKSUJKDBSA-N
XLogP2.01
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine with MolForge

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Related Compounds

1-methyl-N-[(1R,2S)-2-(3,4,5-trifluorophenyl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095841
1-methyl-N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095809
trans-(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride
CID 170910890
N-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine
CID 62708561
2-(cyclobutylmethyl)-1-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]guanidine
CID 120663100
4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole
CID 81350650
5-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxamide
CID 167850947
N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
CID 138036681
N-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972624
N-cyclopropyl-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 130898492
1-phenyl-N-[(1R,2R)-2-phenylcyclopropyl]pyrazole-4-sulfonamide
CID 95259394
1-methyl-5-(1-phenylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
CID 79510472

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine (CID 122095776) is 1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine is CN1CCCN=C1N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is QNIMZKSNTWRBRV-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H21N5/c1-21-9-5-8-18-17(21)20-16-10-15(16)13-11-19-22(12-13)14-6-3-2-4-7-14/h2-4,6-7,11-12,15-16H,5,8-10H2,1H3,(H,18,20)/t15-,16+/m0/s1.
What are the key properties of 1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine?
1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 295.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 122095776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).