N',N'-di(propan-2-yl)-N-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]ethane-1,2-diamine

C18H30N6 — CID 117094317

IUPACN',N'-di(propan-2-yl)-N-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]ethane-1,2-diamine
SMILESCc1nn(C)c(C)c1-c1cc(NCCN(C(C)C)C(C)C)ncn1
InChIInChI=1S/C18H30N6/c1-12(2)24(13(3)4)9-8-19-17-10-16(20-11-21-17)18-14(5)22-23(7)15(18)6/h10-13H,8-9H2,1-7H3,(H,19,20,21)
InChIKeyZIZRTJLPIUVYGC-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.02
Rot. Bonds7

About N',N'-di(propan-2-yl)-N-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]ethane-1,2-diamine

N',N'-di(propan-2-yl)-N-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 117094317) has the molecular formula C18H30N6 and a molecular weight of 330.48 g/mol. Its IUPAC name is N',N'-di(propan-2-yl)-N-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-di(propan-2-yl)-N-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]ethane-1,2-diamine
PubChem CID117094317
Molecular FormulaC18H30N6
Molecular Weight330.48 g/mol
Exact Mass330.25
IUPAC NameN',N'-di(propan-2-yl)-N-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]ethane-1,2-diamine
SMILESCc1nn(C)c(C)c1-c1cc(NCCN(C(C)C)C(C)C)ncn1
InChIInChI=1S/C18H30N6/c1-12(2)24(13(3)4)9-8-19-17-10-16(20-11-21-17)18-14(5)22-23(7)15(18)6/h10-13H,8-9H2,1-7H3,(H,19,20,21)
InChIKeyZIZRTJLPIUVYGC-UHFFFAOYSA-N
XLogP3.02
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N',N'-di(propan-2-yl)-N-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-di(propan-2-yl)-N-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]ethane-1,2-diamine (CID 117094317) is N',N'-di(propan-2-yl)-N-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-di(propan-2-yl)-N-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-di(propan-2-yl)-N-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]ethane-1,2-diamine is Cc1nn(C)c(C)c1-c1cc(NCCN(C(C)C)C(C)C)ncn1.
What is the InChIKey of N',N'-di(propan-2-yl)-N-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is ZIZRTJLPIUVYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6/c1-12(2)24(13(3)4)9-8-19-17-10-16(20-11-21-17)18-14(5)22-23(7)15(18)6/h10-13H,8-9H2,1-7H3,(H,19,20,21).
What are the key properties of N',N'-di(propan-2-yl)-N-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]ethane-1,2-diamine?
N',N'-di(propan-2-yl)-N-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 330.48 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-di(propan-2-yl)-N-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 117094317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).