6-amino-5-(pentan-3-ylamino)-1-propylpyrimidine-2,4-dione

C12H22N4O2 — CID 2454147

IUPAC6-amino-5-(pentan-3-ylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NC(CC)CC)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O2/c1-4-7-16-10(13)9(11(17)15-12(16)18)14-8(5-2)6-3/h8,14H,4-7,13H2,1-3H3,(H,15,17,18)
InChIKeyKGCKJYCEPDGLJT-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.13
Rot. Bonds6

About 6-amino-5-(pentan-3-ylamino)-1-propylpyrimidine-2,4-dione

6-amino-5-(pentan-3-ylamino)-1-propylpyrimidine-2,4-dione (PubChem CID 2454147) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-amino-5-(pentan-3-ylamino)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(pentan-3-ylamino)-1-propylpyrimidine-2,4-dione
PubChem CID2454147
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name6-amino-5-(pentan-3-ylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NC(CC)CC)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O2/c1-4-7-16-10(13)9(11(17)15-12(16)18)14-8(5-2)6-3/h8,14H,4-7,13H2,1-3H3,(H,15,17,18)
InChIKeyKGCKJYCEPDGLJT-UHFFFAOYSA-N
XLogP1.13
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-Acetylamino-6-amino-3-methyluracil
CID 88299
6-Amino-5-(butylamino)-1-(2-methylpropyl)-2,4(1H,3H)-pyrimidinedione
CID 3813450
5-Acetylamino-6-formylamino-3-methyluracil
CID 108214
6-Amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione
CID 2398074
6-amino-5-(dodecylamino)-1H-pyrimidine-2,4-dione
CID 10018296
6-Amino-1-Butyl-5-(Cyclopentylamino)pyrimidine-2,4(1h,3h)-Dione
CID 2363705
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
Bas 00444373
CID 3107550
N-hexyl-5-methylamino-2,4-dioxo-pyrimidine-1-carboxamide
CID 71654964

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(pentan-3-ylamino)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(pentan-3-ylamino)-1-propylpyrimidine-2,4-dione (CID 2454147) is 6-amino-5-(pentan-3-ylamino)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(pentan-3-ylamino)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(pentan-3-ylamino)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NC(CC)CC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(pentan-3-ylamino)-1-propylpyrimidine-2,4-dione?
The InChIKey is KGCKJYCEPDGLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-7-16-10(13)9(11(17)15-12(16)18)14-8(5-2)6-3/h8,14H,4-7,13H2,1-3H3,(H,15,17,18).
What are the key properties of 6-amino-5-(pentan-3-ylamino)-1-propylpyrimidine-2,4-dione?
6-amino-5-(pentan-3-ylamino)-1-propylpyrimidine-2,4-dione has a molecular weight of 254.33 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(pentan-3-ylamino)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2454147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).