N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)adamantane-1-carboxamide

C21H32N4O3 — CID 22402381

IUPACN-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)adamantane-1-carboxamide
SMILESCCCn1c(N)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c(=O)n(CCC)c1=O
InChIInChI=1S/C21H32N4O3/c1-3-5-24-17(22)16(18(26)25(6-4-2)20(24)28)23-19(27)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12,22H2,1-2H3,(H,23,27)
InChIKeyQRBZZPIESDDUGD-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.57
Rot. Bonds6

About N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)adamantane-1-carboxamide

N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)adamantane-1-carboxamide (PubChem CID 22402381) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)adamantane-1-carboxamide
PubChem CID22402381
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)adamantane-1-carboxamide
SMILESCCCn1c(N)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c(=O)n(CCC)c1=O
InChIInChI=1S/C21H32N4O3/c1-3-5-24-17(22)16(18(26)25(6-4-2)20(24)28)23-19(27)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12,22H2,1-2H3,(H,23,27)
InChIKeyQRBZZPIESDDUGD-UHFFFAOYSA-N
XLogP2.57
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)adamantane-1-carboxamide?
The IUPAC name of N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)adamantane-1-carboxamide (CID 22402381) is N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)adamantane-1-carboxamide is CCCn1c(N)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c(=O)n(CCC)c1=O.
What is the InChIKey of N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)adamantane-1-carboxamide?
The InChIKey is QRBZZPIESDDUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-3-5-24-17(22)16(18(26)25(6-4-2)20(24)28)23-19(27)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12,22H2,1-2H3,(H,23,27).
What are the key properties of N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)adamantane-1-carboxamide?
N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)adamantane-1-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)adamantane-1-carboxamide is sourced from PubChem (CID 22402381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).