N-[3-amino-1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propyl]acetamide

C10H20N4O — CID 57309625

IUPACN-[3-amino-1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propyl]acetamide
SMILESCC(=O)NC(CCN)N1CCCN=C1C
InChIInChI=1S/C10H20N4O/c1-8-12-6-3-7-14(8)10(4-5-11)13-9(2)15/h10H,3-7,11H2,1-2H3,(H,13,15)
InChIKeyMPANVNBYXAHIAJ-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.08
Rot. Bonds4

About N-[3-amino-1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propyl]acetamide

N-[3-amino-1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propyl]acetamide (PubChem CID 57309625) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N-[3-amino-1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-amino-1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propyl]acetamide
PubChem CID57309625
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN-[3-amino-1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propyl]acetamide
SMILESCC(=O)NC(CCN)N1CCCN=C1C
InChIInChI=1S/C10H20N4O/c1-8-12-6-3-7-14(8)10(4-5-11)13-9(2)15/h10H,3-7,11H2,1-2H3,(H,13,15)
InChIKeyMPANVNBYXAHIAJ-UHFFFAOYSA-N
XLogP-0.08
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propyl]acetamide?
The IUPAC name of N-[3-amino-1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propyl]acetamide (CID 57309625) is N-[3-amino-1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propyl]acetamide.
What is the SMILES notation for N-[3-amino-1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propyl]acetamide?
The canonical SMILES for N-[3-amino-1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propyl]acetamide is CC(=O)NC(CCN)N1CCCN=C1C.
What is the InChIKey of N-[3-amino-1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propyl]acetamide?
The InChIKey is MPANVNBYXAHIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-8-12-6-3-7-14(8)10(4-5-11)13-9(2)15/h10H,3-7,11H2,1-2H3,(H,13,15).
What are the key properties of N-[3-amino-1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propyl]acetamide?
N-[3-amino-1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propyl]acetamide has a molecular weight of 212.30 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propyl]acetamide is sourced from PubChem (CID 57309625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).