N-[2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine

C16H25N5 — CID 65198217

IUPACN-[2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
SMILESCc1nc(-c2cnn(C)c2)nc(C)c1CCNC(C)(C)C
InChIInChI=1S/C16H25N5/c1-11-14(7-8-17-16(3,4)5)12(2)20-15(19-11)13-9-18-21(6)10-13/h9-10,17H,7-8H2,1-6H3
InChIKeyGOXMXSGTVOYGJN-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.42
Rot. Bonds4

About N-[2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine

N-[2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 65198217) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
PubChem CID65198217
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-[2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
SMILESCc1nc(-c2cnn(C)c2)nc(C)c1CCNC(C)(C)C
InChIInChI=1S/C16H25N5/c1-11-14(7-8-17-16(3,4)5)12(2)20-15(19-11)13-9-18-21(6)10-13/h9-10,17H,7-8H2,1-6H3
InChIKeyGOXMXSGTVOYGJN-UHFFFAOYSA-N
XLogP2.42
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine (CID 65198217) is N-[2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine is Cc1nc(-c2cnn(C)c2)nc(C)c1CCNC(C)(C)C.
What is the InChIKey of N-[2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is GOXMXSGTVOYGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-11-14(7-8-17-16(3,4)5)12(2)20-15(19-11)13-9-18-21(6)10-13/h9-10,17H,7-8H2,1-6H3.
What are the key properties of N-[2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65198217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).