N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylpropanamide

C13H23N5O — CID 45497033

IUPACN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylpropanamide
SMILESCc1cc(N(C)C)nc(NCCNC(=O)C(C)C)n1
InChIInChI=1S/C13H23N5O/c1-9(2)12(19)14-6-7-15-13-16-10(3)8-11(17-13)18(4)5/h8-9H,6-7H2,1-5H3,(H,14,19)(H,15,16,17)
InChIKeyUKMZNCDPZBBQNS-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.04
Rot. Bonds6

About N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylpropanamide

N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylpropanamide (PubChem CID 45497033) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylpropanamide
PubChem CID45497033
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylpropanamide
SMILESCc1cc(N(C)C)nc(NCCNC(=O)C(C)C)n1
InChIInChI=1S/C13H23N5O/c1-9(2)12(19)14-6-7-15-13-16-10(3)8-11(17-13)18(4)5/h8-9H,6-7H2,1-5H3,(H,14,19)(H,15,16,17)
InChIKeyUKMZNCDPZBBQNS-UHFFFAOYSA-N
XLogP1.04
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylpropanamide (CID 45497033) is N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylpropanamide is Cc1cc(N(C)C)nc(NCCNC(=O)C(C)C)n1.
What is the InChIKey of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylpropanamide?
The InChIKey is UKMZNCDPZBBQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9(2)12(19)14-6-7-15-13-16-10(3)8-11(17-13)18(4)5/h8-9H,6-7H2,1-5H3,(H,14,19)(H,15,16,17).
What are the key properties of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylpropanamide?
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 45497033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).