N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide

C13H18N4O2 — CID 162650117

IUPACN-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C13H18N4O2/c18-13(14-8-10-1-2-10)11-7-12(16-9-15-11)17-3-5-19-6-4-17/h7,9-10H,1-6,8H2,(H,14,18)
InChIKeyBHYCIEJIVSIDMM-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.45
Rot. Bonds4

About N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide

N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 162650117) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID162650117
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C13H18N4O2/c18-13(14-8-10-1-2-10)11-7-12(16-9-15-11)17-3-5-19-6-4-17/h7,9-10H,1-6,8H2,(H,14,18)
InChIKeyBHYCIEJIVSIDMM-UHFFFAOYSA-N
XLogP0.45
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 162650117) is N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is O=C(NCC1CC1)c1cc(N2CCOCC2)ncn1.
What is the InChIKey of N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is BHYCIEJIVSIDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-13(14-8-10-1-2-10)11-7-12(16-9-15-11)17-3-5-19-6-4-17/h7,9-10H,1-6,8H2,(H,14,18).
What are the key properties of N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 162650117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).