(5S)-2-amino-5-(methylamino)-4,5-dihydro-1H-pyrimidin-6-one

C5H10N4O — CID 642680

IUPAC(5S)-2-amino-5-(methylamino)-4,5-dihydro-1H-pyrimidin-6-one
SMILESCN[C@H]1CN=C(N)NC1=O
InChIInChI=1S/C5H10N4O/c1-7-3-2-8-5(6)9-4(3)10/h3,7H,2H2,1H3,(H3,6,8,9,10)/t3-/m0/s1
InChIKeyNLHJDYMBRIGCPE-VKHMYHEASA-N
MW142.16 g/mol
LogP-1.98
Rot. Bonds1

About (5S)-2-amino-5-(methylamino)-4,5-dihydro-1H-pyrimidin-6-one

(5S)-2-amino-5-(methylamino)-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 642680) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is (5S)-2-amino-5-(methylamino)-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name(5S)-2-amino-5-(methylamino)-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID642680
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name(5S)-2-amino-5-(methylamino)-4,5-dihydro-1H-pyrimidin-6-one
SMILESCN[C@H]1CN=C(N)NC1=O
InChIInChI=1S/C5H10N4O/c1-7-3-2-8-5(6)9-4(3)10/h3,7H,2H2,1H3,(H3,6,8,9,10)/t3-/m0/s1
InChIKeyNLHJDYMBRIGCPE-VKHMYHEASA-N
XLogP-1.98
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-amino-5-(methylamino)-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of (5S)-2-amino-5-(methylamino)-4,5-dihydro-1H-pyrimidin-6-one (CID 642680) is (5S)-2-amino-5-(methylamino)-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for (5S)-2-amino-5-(methylamino)-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for (5S)-2-amino-5-(methylamino)-4,5-dihydro-1H-pyrimidin-6-one is CN[C@H]1CN=C(N)NC1=O.
What is the InChIKey of (5S)-2-amino-5-(methylamino)-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is NLHJDYMBRIGCPE-VKHMYHEASA-N. The full InChI is InChI=1S/C5H10N4O/c1-7-3-2-8-5(6)9-4(3)10/h3,7H,2H2,1H3,(H3,6,8,9,10)/t3-/m0/s1.
What are the key properties of (5S)-2-amino-5-(methylamino)-4,5-dihydro-1H-pyrimidin-6-one?
(5S)-2-amino-5-(methylamino)-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 142.16 g/mol, XLogP of -1.98, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-amino-5-(methylamino)-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 642680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).