N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-4-propylpyrimidine-5-carboxamide

C14H22N4O — CID 99941054

IUPACN-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)N(C)[C@H]1CCN(C)C1
InChIInChI=1S/C14H22N4O/c1-4-5-13-12(8-15-10-16-13)14(19)18(3)11-6-7-17(2)9-11/h8,10-11H,4-7,9H2,1-3H3/t11-/m0/s1
InChIKeyTXWUEFKGLDLWNT-NSHDSACASA-N
MW262.36 g/mol
LogP1.21
Rot. Bonds4

About N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-4-propylpyrimidine-5-carboxamide

N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-4-propylpyrimidine-5-carboxamide (PubChem CID 99941054) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-4-propylpyrimidine-5-carboxamide
PubChem CID99941054
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)N(C)[C@H]1CCN(C)C1
InChIInChI=1S/C14H22N4O/c1-4-5-13-12(8-15-10-16-13)14(19)18(3)11-6-7-17(2)9-11/h8,10-11H,4-7,9H2,1-3H3/t11-/m0/s1
InChIKeyTXWUEFKGLDLWNT-NSHDSACASA-N
XLogP1.21
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-4-propylpyrimidine-5-carboxamide (CID 99941054) is N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)N(C)[C@H]1CCN(C)C1.
What is the InChIKey of N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-4-propylpyrimidine-5-carboxamide?
The InChIKey is TXWUEFKGLDLWNT-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-5-13-12(8-15-10-16-13)14(19)18(3)11-6-7-17(2)9-11/h8,10-11H,4-7,9H2,1-3H3/t11-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-4-propylpyrimidine-5-carboxamide?
N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-4-propylpyrimidine-5-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 99941054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).