1-cyclopropyl-N-[[(2R)-4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl]-N-methylmethanamine

C17H26N4O — CID 129337812

IUPAC1-cyclopropyl-N-[[(2R)-4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl]-N-methylmethanamine
SMILESCN(CC1CC1)C[C@@H]1CN(c2ccnc(C3CC3)n2)CCO1
InChIInChI=1S/C17H26N4O/c1-20(10-13-2-3-13)11-15-12-21(8-9-22-15)16-6-7-18-17(19-16)14-4-5-14/h6-7,13-15H,2-5,8-12H2,1H3/t15-/m1/s1
InChIKeyMESFYTQAMOYSCV-OAHLLOKOSA-N
MW302.42 g/mol
LogP1.90
Rot. Bonds6

About 1-cyclopropyl-N-[[(2R)-4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl]-N-methylmethanamine

1-cyclopropyl-N-[[(2R)-4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl]-N-methylmethanamine (PubChem CID 129337812) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[(2R)-4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[(2R)-4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl]-N-methylmethanamine
PubChem CID129337812
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-cyclopropyl-N-[[(2R)-4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl]-N-methylmethanamine
SMILESCN(CC1CC1)C[C@@H]1CN(c2ccnc(C3CC3)n2)CCO1
InChIInChI=1S/C17H26N4O/c1-20(10-13-2-3-13)11-15-12-21(8-9-22-15)16-6-7-18-17(19-16)14-4-5-14/h6-7,13-15H,2-5,8-12H2,1H3/t15-/m1/s1
InChIKeyMESFYTQAMOYSCV-OAHLLOKOSA-N
XLogP1.90
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[(2R)-4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-cyclopropyl-N-[[(2R)-4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl]-N-methylmethanamine (CID 129337812) is 1-cyclopropyl-N-[[(2R)-4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[(2R)-4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-cyclopropyl-N-[[(2R)-4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl]-N-methylmethanamine is CN(CC1CC1)C[C@@H]1CN(c2ccnc(C3CC3)n2)CCO1.
What is the InChIKey of 1-cyclopropyl-N-[[(2R)-4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl]-N-methylmethanamine?
The InChIKey is MESFYTQAMOYSCV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N4O/c1-20(10-13-2-3-13)11-15-12-21(8-9-22-15)16-6-7-18-17(19-16)14-4-5-14/h6-7,13-15H,2-5,8-12H2,1H3/t15-/m1/s1.
What are the key properties of 1-cyclopropyl-N-[[(2R)-4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl]-N-methylmethanamine?
1-cyclopropyl-N-[[(2R)-4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl]-N-methylmethanamine has a molecular weight of 302.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[(2R)-4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 129337812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).