ethane;4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine

C15H27N5 — CID 143753819

IUPACethane;4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCC.CC.Cc1nn(C(C)C)cc1-c1ccnc(N)n1
InChIInChI=1S/C11H15N5.2C2H6/c1-7(2)16-6-9(8(3)15-16)10-4-5-13-11(12)14-10;2*1-2/h4-7H,1-3H3,(H2,12,13,14);2*1-2H3
InChIKeyKAZXFBPNZRWWFN-UHFFFAOYSA-N
MW277.42 g/mol
LogP3.86
Rot. Bonds2

About ethane;4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine

ethane;4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 143753819) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is ethane;4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Nameethane;4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID143753819
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Nameethane;4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCC.CC.Cc1nn(C(C)C)cc1-c1ccnc(N)n1
InChIInChI=1S/C11H15N5.2C2H6/c1-7(2)16-6-9(8(3)15-16)10-4-5-13-11(12)14-10;2*1-2/h4-7H,1-3H3,(H2,12,13,14);2*1-2H3
InChIKeyKAZXFBPNZRWWFN-UHFFFAOYSA-N
XLogP3.86
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine
CID 67073877
6-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridin-2-amine
CID 66022490
4-methyl-6-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridin-3-amine
CID 114256490
2-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline
CID 107627200
2-fluoro-6-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline
CID 107602961
4-(5-fluoro-1-propan-2-ylindol-3-yl)pyrimidin-2-amine
CID 16752480
3,4-dimethyl-1-propan-2-ylpyrazole;ethane
CID 144607335
2-methoxy-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline
CID 66020833
4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine
CID 62478034
4-(2-aminophenyl)pyrimidin-2-amine
CID 73441764
4-(2-propan-2-ylsulfonylphenyl)pyrimidin-2-amine
CID 90134190
5-methyl-4-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 167949434

Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of ethane;4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine (CID 143753819) is ethane;4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for ethane;4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for ethane;4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine is CC.CC.Cc1nn(C(C)C)cc1-c1ccnc(N)n1.
What is the InChIKey of ethane;4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is KAZXFBPNZRWWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5.2C2H6/c1-7(2)16-6-9(8(3)15-16)10-4-5-13-11(12)14-10;2*1-2/h4-7H,1-3H3,(H2,12,13,14);2*1-2H3.
What are the key properties of ethane;4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
ethane;4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 277.42 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 143753819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).