N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine

C17H22N4O — CID 133460609

IUPACN-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCc2ccnc(OCC3CC3)c2)nc(C)n1
InChIInChI=1S/C17H22N4O/c1-3-15-9-16(21-12(2)20-15)19-10-14-6-7-18-17(8-14)22-11-13-4-5-13/h6-9,13H,3-5,10-11H2,1-2H3,(H,19,20,21)
InChIKeyCLZVRFCCROOVAK-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.14
Rot. Bonds7

About N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine

N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine (PubChem CID 133460609) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
PubChem CID133460609
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCc2ccnc(OCC3CC3)c2)nc(C)n1
InChIInChI=1S/C17H22N4O/c1-3-15-9-16(21-12(2)20-15)19-10-14-6-7-18-17(8-14)22-11-13-4-5-13/h6-9,13H,3-5,10-11H2,1-2H3,(H,19,20,21)
InChIKeyCLZVRFCCROOVAK-UHFFFAOYSA-N
XLogP3.14
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine (CID 133460609) is N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine is CCc1cc(NCc2ccnc(OCC3CC3)c2)nc(C)n1.
What is the InChIKey of N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is CLZVRFCCROOVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-15-9-16(21-12(2)20-15)19-10-14-6-7-18-17(8-14)22-11-13-4-5-13/h6-9,13H,3-5,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine?
N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 133460609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).