tert-butyl 2-amino-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate

C12H18N4O2 — CID 91029967

IUPACtert-butyl 2-amino-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
SMILESCc1nc(N)nc2c1CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C12H18N4O2/c1-7-8-5-16(11(17)18-12(2,3)4)6-9(8)15-10(13)14-7/h5-6H2,1-4H3,(H2,13,14,15)
InChIKeyMDPGIQPYJLIAKJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.62
Rot. Bonds

About tert-butyl 2-amino-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate

tert-butyl 2-amino-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate (PubChem CID 91029967) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is tert-butyl 2-amino-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-amino-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
PubChem CID91029967
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Nametert-butyl 2-amino-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
SMILESCc1nc(N)nc2c1CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C12H18N4O2/c1-7-8-5-16(11(17)18-12(2,3)4)6-9(8)15-10(13)14-7/h5-6H2,1-4H3,(H2,13,14,15)
InChIKeyMDPGIQPYJLIAKJ-UHFFFAOYSA-N
XLogP1.62
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-Diamino-7-methyl-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone
CID 267675
2-amino-N-(2,2-difluoropropyl)-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 91205316
2-amino-N-(2,2-difluoropropyl)-4-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 143940675
2,2-Difluoropropyl 2-amino-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate;ethane
CID 168228339
CID 168228532
CID 168228532
Tert-butyl 2-chloro-4-(fluoroamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 174329492
Tert-butyl 4-(fluoroamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 174329494
tert-butyl2-amino-4-(trifluoromethyl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 154853427
2,2-Difluoropropyl 2-amino-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 168228340
tert-butyl 4-amino-2-(trifluoromethyl)-5H,6H,7H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 178201014
Tert-butyl 2,4-diamino-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carboxylate
CID 21473745
tert-butyl [1-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 44188460

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate?
The IUPAC name of tert-butyl 2-amino-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate (CID 91029967) is tert-butyl 2-amino-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate.
What is the SMILES notation for tert-butyl 2-amino-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate?
The canonical SMILES for tert-butyl 2-amino-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate is Cc1nc(N)nc2c1CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 2-amino-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate?
The InChIKey is MDPGIQPYJLIAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7-8-5-16(11(17)18-12(2,3)4)6-9(8)15-10(13)14-7/h5-6H2,1-4H3,(H2,13,14,15).
What are the key properties of tert-butyl 2-amino-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate?
tert-butyl 2-amino-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 91029967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).