N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-tert-butylpyrimidin-4-amine

C19H25N5 — CID 133345327

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-tert-butylpyrimidin-4-amine
SMILESCC(C)[C@@H](Nc1ccnc(C(C)(C)C)n1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H25N5/c1-12(2)16(17-21-13-8-6-7-9-14(13)22-17)23-15-10-11-20-18(24-15)19(3,4)5/h6-12,16H,1-5H3,(H,21,22)(H,20,23,24)/t16-/m1/s1
InChIKeyYUBHXGKBJDKGAX-MRXNPFEDSA-N
MW323.44 g/mol
LogP4.46
Rot. Bonds4

About N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-tert-butylpyrimidin-4-amine

N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-tert-butylpyrimidin-4-amine (PubChem CID 133345327) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-tert-butylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-tert-butylpyrimidin-4-amine
PubChem CID133345327
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-tert-butylpyrimidin-4-amine
SMILESCC(C)[C@@H](Nc1ccnc(C(C)(C)C)n1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H25N5/c1-12(2)16(17-21-13-8-6-7-9-14(13)22-17)23-15-10-11-20-18(24-15)19(3,4)5/h6-12,16H,1-5H3,(H,21,22)(H,20,23,24)/t16-/m1/s1
InChIKeyYUBHXGKBJDKGAX-MRXNPFEDSA-N
XLogP4.46
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-nitropyridin-2-amine
CID 42885153
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133426443
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-pyridin-4-ylquinazolin-4-amine
CID 55941683
2-propan-2-yl-1H-benzimidazole
CID 22121
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 47141201
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridin-4-amine
CID 133360211
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 120503082
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133270504

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-tert-butylpyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-tert-butylpyrimidin-4-amine (CID 133345327) is N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-tert-butylpyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-tert-butylpyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-tert-butylpyrimidin-4-amine is CC(C)[C@@H](Nc1ccnc(C(C)(C)C)n1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-tert-butylpyrimidin-4-amine?
The InChIKey is YUBHXGKBJDKGAX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N5/c1-12(2)16(17-21-13-8-6-7-9-14(13)22-17)23-15-10-11-20-18(24-15)19(3,4)5/h6-12,16H,1-5H3,(H,21,22)(H,20,23,24)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-tert-butylpyrimidin-4-amine?
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-tert-butylpyrimidin-4-amine has a molecular weight of 323.44 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-tert-butylpyrimidin-4-amine is sourced from PubChem (CID 133345327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).