2-amino-6-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C9H13N5O — CID 135460931

IUPAC2-amino-6-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCN(C)Cc1cc2c(=O)[nH]c(N)nc2[nH]1
InChIInChI=1S/C9H13N5O/c1-14(2)4-5-3-6-7(11-5)12-9(10)13-8(6)15/h3H,4H2,1-2H3,(H4,10,11,12,13,15)
InChIKeyXMISEBBWYDGNKD-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.10
Rot. Bonds2

About 2-amino-6-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-6-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135460931) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-amino-6-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135460931
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-amino-6-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCN(C)Cc1cc2c(=O)[nH]c(N)nc2[nH]1
InChIInChI=1S/C9H13N5O/c1-14(2)4-5-3-6-7(11-5)12-9(10)13-8(6)15/h3H,4H2,1-2H3,(H4,10,11,12,13,15)
InChIKeyXMISEBBWYDGNKD-UHFFFAOYSA-N
XLogP-0.10
TPSA90.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135453810
N-cyclohexyl-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 852301
5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135578192
N,N-diethyl-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3236713
N,N,1,9-tetramethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3239415
1,9-Dimethyl-4-oxo-N~2~-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,4-dihydropyrido[1,2-A]pyrrolo[2,3-D]pyrimidine-2-carboxamide
CID 3239936
N-(2-cyclohex-1-en-1-ylethyl)-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3242584
6,10-dimethyl-2-oxo-N,N-dipropyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3505795
N-cyclohexyl-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 4524648
N-cyclopentyl-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 4621904
N-[2-(1-Cyclohexen-1-YL)ethyl]-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-A]pyrrolo[2,3-D]pyrimidine-2-carboxamide
CID 4621906
1,9-Dimethyl-N-(2-methyl-2-propanyl)-4-oxo-1,4-dihydropyrido[1,2-A]pyrrolo[2,3-D]pyrimidine-2-carboxamide
CID 5001190

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135460931) is 2-amino-6-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is CN(C)Cc1cc2c(=O)[nH]c(N)nc2[nH]1.
What is the InChIKey of 2-amino-6-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is XMISEBBWYDGNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-14(2)4-5-3-6-7(11-5)12-9(10)13-8(6)15/h3H,4H2,1-2H3,(H4,10,11,12,13,15).
What are the key properties of 2-amino-6-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-6-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 207.24 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(dimethylamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135460931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).