2,6-di(propan-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidin-4-amine

C18H29N5 — CID 133409185

IUPAC2,6-di(propan-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1nn(C)c(C)c1CCNc1cc(C(C)C)nc(C(C)C)n1
InChIInChI=1S/C18H29N5/c1-11(2)16-10-17(21-18(20-16)12(3)4)19-9-8-15-13(5)22-23(7)14(15)6/h10-12H,8-9H2,1-7H3,(H,19,20,21)
InChIKeyPOBWNYAYRVUZBQ-UHFFFAOYSA-N
MW315.47 g/mol
LogP3.73
Rot. Bonds6

About 2,6-di(propan-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidin-4-amine

2,6-di(propan-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 133409185) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID133409185
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC Name2,6-di(propan-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1nn(C)c(C)c1CCNc1cc(C(C)C)nc(C(C)C)n1
InChIInChI=1S/C18H29N5/c1-11(2)16-10-17(21-18(20-16)12(3)4)19-9-8-15-13(5)22-23(7)14(15)6/h10-12H,8-9H2,1-7H3,(H,19,20,21)
InChIKeyPOBWNYAYRVUZBQ-UHFFFAOYSA-N
XLogP3.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2,6-di(propan-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidin-4-amine (CID 133409185) is 2,6-di(propan-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2,6-di(propan-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2,6-di(propan-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidin-4-amine is Cc1nn(C)c(C)c1CCNc1cc(C(C)C)nc(C(C)C)n1.
What is the InChIKey of 2,6-di(propan-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is POBWNYAYRVUZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-11(2)16-10-17(21-18(20-16)12(3)4)19-9-8-15-13(5)22-23(7)14(15)6/h10-12H,8-9H2,1-7H3,(H,19,20,21).
What are the key properties of 2,6-di(propan-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidin-4-amine?
2,6-di(propan-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 315.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 133409185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).