Adamantan-1-amine;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid

C18H31N4O6P — CID 174796348

IUPACadamantan-1-amine;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
SMILESC1C2CC3CC1CC(C2)(C3)N.C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O
InChIInChI=1S/C10H17N.C8H14N3O6P/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h7-9H,1-6,11H2;1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)
InChIKeyDFRRDXWCMDEHQN-UHFFFAOYSA-N
MW430.40 g/mol
LogP—
Rot. Bonds6

About Adamantan-1-amine;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid

Adamantan-1-amine;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid (PubChem CID 174796348) has the molecular formula C18H31N4O6P and a molecular weight of 430.40 g/mol. Its IUPAC name is adamantan-1-amine;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid.

Molecular Properties

Compound NameAdamantan-1-amine;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
PubChem CID174796348
Molecular FormulaC18H31N4O6P
Molecular Weight430.40 g/mol
Exact Mass430.20
IUPAC Nameadamantan-1-amine;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
SMILESC1C2CC3CC1CC(C2)(C3)N.C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O
InChIInChI=1S/C10H17N.C8H14N3O6P/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h7-9H,1-6,11H2;1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)
InChIKeyDFRRDXWCMDEHQN-UHFFFAOYSA-N
XLogP—
TPSA172.00 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity561

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Adamantan-1-amine;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid?
The IUPAC name of Adamantan-1-amine;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid (CID 174796348) is adamantan-1-amine;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid.
What is the SMILES notation for Adamantan-1-amine;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid?
The canonical SMILES for Adamantan-1-amine;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid is C1C2CC3CC1CC(C2)(C3)N.C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O.
What is the InChIKey of Adamantan-1-amine;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid?
The InChIKey is DFRRDXWCMDEHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.C8H14N3O6P/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h7-9H,1-6,11H2;1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16).
What are the key properties of Adamantan-1-amine;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid?
Adamantan-1-amine;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid has a molecular weight of 430.40 g/mol, XLogP of not available, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Adamantan-1-amine;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid is sourced from PubChem (CID 174796348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).