2,6-ditert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-4-amine

C18H29N5 — CID 133405510

IUPAC2,6-ditert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1c(CNc2cc(C(C)(C)C)nc(C(C)(C)C)n2)cnn1C
InChIInChI=1S/C18H29N5/c1-12-13(11-20-23(12)8)10-19-15-9-14(17(2,3)4)21-16(22-15)18(5,6)7/h9,11H,10H2,1-8H3,(H,19,21,22)
InChIKeyZCYLTOFPRNTEPM-UHFFFAOYSA-N
MW315.47 g/mol
LogP3.73
Rot. Bonds3

About 2,6-ditert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-4-amine

2,6-ditert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 133405510) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is 2,6-ditert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-ditert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID133405510
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC Name2,6-ditert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1c(CNc2cc(C(C)(C)C)nc(C(C)(C)C)n2)cnn1C
InChIInChI=1S/C18H29N5/c1-12-13(11-20-23(12)8)10-19-15-9-14(17(2,3)4)21-16(22-15)18(5,6)7/h9,11H,10H2,1-8H3,(H,19,21,22)
InChIKeyZCYLTOFPRNTEPM-UHFFFAOYSA-N
XLogP3.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133405511
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106038126
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 114139819
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 106041353
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 106041164
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 106041509
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 114139841
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinylpyrazin-2-amine
CID 106043318
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 106035379
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline
CID 79579160

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2,6-ditert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-4-amine (CID 133405510) is 2,6-ditert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2,6-ditert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2,6-ditert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-4-amine is Cc1c(CNc2cc(C(C)(C)C)nc(C(C)(C)C)n2)cnn1C.
What is the InChIKey of 2,6-ditert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is ZCYLTOFPRNTEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-12-13(11-20-23(12)8)10-19-15-9-14(17(2,3)4)21-16(22-15)18(5,6)7/h9,11H,10H2,1-8H3,(H,19,21,22).
What are the key properties of 2,6-ditert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-4-amine?
2,6-ditert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 315.47 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 133405510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).