N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine

C20H21N7 — CID 96570859

IUPACN-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCn1cc(-c2ccnc(N[C@@H](CCn3ccnc3)c3ccccc3)n2)cn1
InChIInChI=1S/C20H21N7/c1-26-14-17(13-23-26)18-7-9-22-20(24-18)25-19(16-5-3-2-4-6-16)8-11-27-12-10-21-15-27/h2-7,9-10,12-15,19H,8,11H2,1H3,(H,22,24,25)/t19-/m0/s1
InChIKeyHYHRDSHKPQGANK-IBGZPJMESA-N
MW359.44 g/mol
LogP3.32
Rot. Bonds7

About N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine

N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 96570859) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID96570859
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC NameN-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCn1cc(-c2ccnc(N[C@@H](CCn3ccnc3)c3ccccc3)n2)cn1
InChIInChI=1S/C20H21N7/c1-26-14-17(13-23-26)18-7-9-22-20(24-18)25-19(16-5-3-2-4-6-16)8-11-27-12-10-21-15-27/h2-7,9-10,12-15,19H,8,11H2,1H3,(H,22,24,25)/t19-/m0/s1
InChIKeyHYHRDSHKPQGANK-IBGZPJMESA-N
XLogP3.32
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 97436462
N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 97436463
4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
CID 104609504
5-ethyl-N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95895118
(2S)-2-[[4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidin-2-yl]amino]-2-phenylethanol
CID 171517385
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 45230985
N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 97192365
4-(1-phenylpyrazol-4-yl)-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine
CID 46992450
4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 129086023
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 31106692
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(1S)-1-phenylethyl]urea
CID 95159896

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 96570859) is N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine is Cn1cc(-c2ccnc(N[C@@H](CCn3ccnc3)c3ccccc3)n2)cn1.
What is the InChIKey of N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is HYHRDSHKPQGANK-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21N7/c1-26-14-17(13-23-26)18-7-9-22-20(24-18)25-19(16-5-3-2-4-6-16)8-11-27-12-10-21-15-27/h2-7,9-10,12-15,19H,8,11H2,1H3,(H,22,24,25)/t19-/m0/s1.
What are the key properties of N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 359.44 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 96570859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).