5,6-diamino-1,3-dipropylpyrimidine-2,4-dione

C10H18N4O2 — CID 5098605

IUPAC5,6-diamino-1,3-dipropylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N)c(=O)n(CCC)c1=O
InChIInChI=1S/C10H18N4O2/c1-3-5-13-8(12)7(11)9(15)14(6-4-2)10(13)16/h3-6,11-12H2,1-2H3
InChIKeySVMBOONGPUFHRA-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.01
Rot. Bonds4

About 5,6-diamino-1,3-dipropylpyrimidine-2,4-dione

5,6-diamino-1,3-dipropylpyrimidine-2,4-dione (PubChem CID 5098605) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5,6-diamino-1,3-dipropylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-diamino-1,3-dipropylpyrimidine-2,4-dione
PubChem CID5098605
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5,6-diamino-1,3-dipropylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N)c(=O)n(CCC)c1=O
InChIInChI=1S/C10H18N4O2/c1-3-5-13-8(12)7(11)9(15)14(6-4-2)10(13)16/h3-6,11-12H2,1-2H3
InChIKeySVMBOONGPUFHRA-UHFFFAOYSA-N
XLogP-0.01
TPSA96.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Acetylamino-6-amino-3-methyluracil
CID 88299
5,6-Diamino-1,3-dimethyluracil
CID 79501
6-Amino-5-(butylamino)-1-(2-methylpropyl)-2,4(1H,3H)-pyrimidinedione
CID 3813450
3-Methyl-4,5-diaminouracil
CID 157184
6-Amino-1,3-diethyl-5-nitroso-2,4(1H,3H)-pyrimidinedione
CID 385990
6-Amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione
CID 2398074
5,6-Diamino-1-dodecyl-3-methylpyrimidine-2,4-dione
CID 11723787
6-Amino-1-isobutyl-3-methyl-5-nitrosouracil
CID 104678
6-Amino-1-methyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione
CID 2497562
6-Amino-1-butyl-5-(propylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2363721
6-Amino-1-butyl-5-[(2-methylpropyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2384333
6-Amino-1-butyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2393504

Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-1,3-dipropylpyrimidine-2,4-dione?
The IUPAC name of 5,6-diamino-1,3-dipropylpyrimidine-2,4-dione (CID 5098605) is 5,6-diamino-1,3-dipropylpyrimidine-2,4-dione.
What is the SMILES notation for 5,6-diamino-1,3-dipropylpyrimidine-2,4-dione?
The canonical SMILES for 5,6-diamino-1,3-dipropylpyrimidine-2,4-dione is CCCn1c(N)c(N)c(=O)n(CCC)c1=O.
What is the InChIKey of 5,6-diamino-1,3-dipropylpyrimidine-2,4-dione?
The InChIKey is SVMBOONGPUFHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-5-13-8(12)7(11)9(15)14(6-4-2)10(13)16/h3-6,11-12H2,1-2H3.
What are the key properties of 5,6-diamino-1,3-dipropylpyrimidine-2,4-dione?
5,6-diamino-1,3-dipropylpyrimidine-2,4-dione has a molecular weight of 226.28 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1,3-dipropylpyrimidine-2,4-dione is sourced from PubChem (CID 5098605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).