5-amino-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

C12H21N5O2 — CID 136781028

IUPAC5-amino-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCOCCN(CC1CCCN1)c1nc[nH]c(=O)c1N
InChIInChI=1S/C12H21N5O2/c1-19-6-5-17(7-9-3-2-4-14-9)11-10(13)12(18)16-8-15-11/h8-9,14H,2-7,13H2,1H3,(H,15,16,18)
InChIKeyISEPHVZMASHJCQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.44
Rot. Bonds6

About 5-amino-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

5-amino-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136781028) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-amino-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136781028
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name5-amino-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCOCCN(CC1CCCN1)c1nc[nH]c(=O)c1N
InChIInChI=1S/C12H21N5O2/c1-19-6-5-17(7-9-3-2-4-14-9)11-10(13)12(18)16-8-15-11/h8-9,14H,2-7,13H2,1H3,(H,15,16,18)
InChIKeyISEPHVZMASHJCQ-UHFFFAOYSA-N
XLogP-0.44
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241424
2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111037049
2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037050
2-[[ethylamino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111262453
2-[[ethylamino-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111364731
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111491692
5-amino-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586293
5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one
CID 135568296
5-amino-4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 135575729
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672450
5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706902
5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706908

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136781028) is 5-amino-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is COCCN(CC1CCCN1)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is ISEPHVZMASHJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-19-6-5-17(7-9-3-2-4-14-9)11-10(13)12(18)16-8-15-11/h8-9,14H,2-7,13H2,1H3,(H,15,16,18).
What are the key properties of 5-amino-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 267.33 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136781028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).