5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one

C10H17N5O2 — CID 136819535

IUPAC5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
SMILESNCC1(Nc2nc[nH]c(=O)c2N)CCOCC1
InChIInChI=1S/C10H17N5O2/c11-5-10(1-3-17-4-2-10)15-8-7(12)9(16)14-6-13-8/h6H,1-5,11-12H2,(H2,13,14,15,16)
InChIKeyZXODCCOEXFJUQQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.73
Rot. Bonds3

About 5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one

5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one (PubChem CID 136819535) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
PubChem CID136819535
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
SMILESNCC1(Nc2nc[nH]c(=O)c2N)CCOCC1
InChIInChI=1S/C10H17N5O2/c11-5-10(1-3-17-4-2-10)15-8-7(12)9(16)14-6-13-8/h6H,1-5,11-12H2,(H2,13,14,15,16)
InChIKeyZXODCCOEXFJUQQ-UHFFFAOYSA-N
XLogP-0.73
TPSA119.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723600
5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730463
5-amino-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756213
5-amino-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786680
4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136819503
4-[[4-(aminomethyl)oxan-4-yl]amino]-5-bromo-1H-pyrimidin-6-one
CID 136819575
4-[[4-(aminomethyl)oxan-4-yl]amino]-5-chloro-1H-pyrimidin-6-one
CID 136819617
5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136824104
5-amino-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857175
5-amino-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905785
5-amino-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136974085
5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136974438

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one (CID 136819535) is 5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one is NCC1(Nc2nc[nH]c(=O)c2N)CCOCC1.
What is the InChIKey of 5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is ZXODCCOEXFJUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c11-5-10(1-3-17-4-2-10)15-8-7(12)9(16)14-6-13-8/h6H,1-5,11-12H2,(H2,13,14,15,16).
What are the key properties of 5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one?
5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 239.28 g/mol, XLogP of -0.73, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136819535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).